*HEADER    TOXIN                                   11-OCT-12   2LZX              
*TITLE     SOLUTION NMR STRUCTURE OF ASTEROPSIN B FROM A MARINE SPONGE ASTEROPUS 
*TITLE    2 SP.                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ASTEROPSIN B;                                              
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ASTEROPUS;                                      
*SOURCE   3 ORGANISM_TAXID: 350938                                               
*KEYWDS    KNOTTIN, SPONGE, TOXIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.LI, J.J.BOWLING, M.T.HAMANN, J.H.JUNG                               
*REVDAT   1   23-OCT-13 2LZX    0                                                


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 assign ((resid  23 and name HD1* ))   ( (resid  34 and name HN   ))     4.94  4.94  0.00
 assign ((resid  26 and name HN   ))   ( (resid  26 and name HG12 ))     3.83  3.83  0.00
 assign ((resid  26 and name HN   ))   ( (resid  33 and name HB   ))     4.17  4.17  0.00
 assign ((resid   2 and name HN   ))   ( (resid  15 and name HE*  ))     4.93  4.93  0.00
 assign ((resid   2 and name HN   ))   ( (resid  16 and name HD2  ))     5.45  5.45  0.00
 assign ((resid  11 and name HN   ))   ( (resid  12 and name HG1* ))     4.97  4.97  0.00
 assign ((resid  11 and name HN   ))   ( (resid  31 and name HA   ))     4.54  4.54  0.00
 assign ((resid  12 and name HA   ))   ( (resid  17 and name HN   ))     4.90  4.90  0.00
 assign ((resid  17 and name HN   ))   ( (resid  25 and name HB2  ))     5.18  5.18  0.00
 assign ((resid  16 and name HD1  ))   ( (resid  17 and name HN   ))     5.50  5.50  0.00
 assign ((resid  10 and name HB2  ))   ( (resid  17 and name HN   ))     4.31  4.31  0.00
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HB1  ))     3.61  3.61  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  17 and name HN   ))     4.13  4.13  0.00
 assign ((resid  17 and name HN   ))   ( (resid  23 and name HB2  ))     5.50  5.50  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  32 and name HN   ))     5.06  5.06  0.00
 assign ((resid  22 and name HN   ))   ( (resid  36 and name HE*  ))     5.12  5.12  0.00
 assign ((resid  11 and name HA   ))   ( (resid  13 and name HN   ))     4.29  4.29  0.00
 assign ((resid  14 and name HN   ))   ( (resid  14 and name HB1  ))     3.68  3.68  0.00
 assign ((resid  14 and name HN   ))   ( (resid  15 and name HB1  ))     5.05  5.05  0.00
 assign ((resid  13 and name HG2  ))   ( (resid  14 and name HN   ))     4.85  4.85  0.00
 assign ((resid  27 and name HA   ))   ( (resid  29 and name HN   ))     4.68  4.68  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  29 and name HN   ))     4.29  4.29  0.00
 assign ((resid  12 and name HG2* ))   ( (resid  29 and name HN   ))     4.73  4.73  0.00
 assign ((resid   3 and name HN   ))   ( (resid  15 and name HD*  ))     4.16  4.16  0.00
 assign ((resid   3 and name HN   ))   ( (resid  18 and name HA   ))     5.50  5.50  0.00
 assign ((resid   3 and name HN   ))   ( (resid   3 and name HB*  ))     3.68  3.68  0.00
 assign ((resid   8 and name HN   ))   ( (resid  34 and name HB2  ))     5.50  5.50  0.00
 assign ((resid  28 and name HN   ))   ( (resid  32 and name HA2  ))     3.89  3.89  0.00
 assign ((resid  28 and name HN   ))   ( (resid  32 and name HA1  ))     3.89  3.89  0.00
 assign ((resid  27 and name HD1  ))   ( (resid  28 and name HN   ))     4.05  4.05  0.00
 assign ((resid  27 and name HB1  ))   ( (resid  28 and name HN   ))     4.32  4.32  0.00
 assign ((resid  27 and name HB2  ))   ( (resid  28 and name HN   ))     3.94  3.94  0.00
 assign ((resid  27 and name HG2  ))   ( (resid  28 and name HN   ))     3.81  3.81  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  28 and name HN   ))     4.77  4.77  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  28 and name HN   ))     4.72  4.72  0.00
 assign ((resid  26 and name HD1* ))   ( (resid  28 and name HN   ))     5.50  5.50  0.00
 assign ((resid  24 and name HA   ))   ( (resid  25 and name HN   ))     3.10  3.10  0.00
 assign ((resid  26 and name HB   ))   ( (resid  35 and name HD*  ))     3.36  3.36  0.00
 assign ((resid  26 and name HG11 ))   ( (resid  35 and name HD*  ))     3.91  3.91  0.00
 assign ((resid  26 and name HG12 ))   ( (resid  35 and name HD*  ))     4.06  4.06  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  25 and name HN   ))     3.80  3.80  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  35 and name HD*  ))     3.80  3.80  0.00
 assign ((resid  25 and name HN   ))   ( (resid  26 and name HD1* ))     4.68  4.68  0.00
 assign ((resid  26 and name HD1* ))   ( (resid  35 and name HD*  ))     4.92  4.92  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  35 and name HD*  ))     4.01  4.01  0.00
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HB2  ))     3.67  3.67  0.00
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HB1  ))     3.61  3.61  0.00
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HG   ))     3.39  3.39  0.00
 assign ((resid  21 and name HN   ))   ( (resid  23 and name HD2* ))     4.45  4.45  0.00
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HD*  ))     3.04  3.04  0.00
 assign ((resid  11 and name HA   ))   ( (resid  14 and name HZ   ))     5.50  5.50  0.00
 assign ((resid  14 and name HZ   ))   ( (resid  15 and name HB2  ))     5.50  5.50  0.00
 assign ((resid  13 and name HG1  ))   ( (resid  14 and name HZ   ))     5.50  5.50  0.00
 assign ((resid  23 and name HD1* ))   ( (resid  36 and name HD*  ))     3.30  3.30  0.00
 assign ((resid  21 and name HD*  ))   ( (resid  36 and name HD*  ))     5.03  5.03  0.00
 assign ((resid  36 and name HD*  ))   ( (resid  37 and name HD*  ))     5.50  5.50  0.00
 assign ((resid  23 and name HD2* ))   ( (resid  36 and name HD*  ))     4.74  4.74  0.00
 assign ((resid  23 and name HG   ))   ( (resid  36 and name HD*  ))     5.40  5.40  0.00
 assign ((resid   6 and name HB2  ))   ( (resid  36 and name HD*  ))     5.36  5.36  0.00
 assign ((resid   6 and name HG*  ))   ( (resid  36 and name HD*  ))     4.91  4.91  0.00
 assign ((resid  14 and name HB2  ))   ( (resid  15 and name HD*  ))     5.35  5.35  0.00
 assign ((resid   4 and name HB*  ))   ( (resid  15 and name HD*  ))     3.68  3.68  0.00
 assign ((resid  23 and name HD1* ))   ( (resid  36 and name HE*  ))     3.95  3.95  0.00
 assign ((resid  21 and name HD*  ))   ( (resid  36 and name HE*  ))     4.71  4.71  0.00
 assign ((resid  23 and name HD2* ))   ( (resid  36 and name HE*  ))     5.39  5.39  0.00
 assign ((resid   6 and name HB2  ))   ( (resid  36 and name HE*  ))     5.50  5.50  0.00
 assign ((resid  21 and name HB2  ))   ( (resid  36 and name HE*  ))     5.50  5.50  0.00
 assign ((resid  26 and name HB   ))   ( (resid  35 and name HE*  ))     3.59  3.59  0.00
 assign ((resid  26 and name HG11 ))   ( (resid  35 and name HE*  ))     4.77  4.77  0.00
 assign ((resid   6 and name HB1  ))   ( (resid  36 and name HD*  ))     5.50  5.50  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  35 and name HE*  ))     4.20  4.20  0.00
 assign ((resid  26 and name HG12 ))   ( (resid  35 and name HE*  ))     5.19  5.19  0.00
 assign ((resid  21 and name HN   ))   ( (resid  23 and name HB2  ))     5.50  5.50  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  35 and name HE*  ))     5.50  5.50  0.00
 assign ((resid   3 and name HB*  ))   ( (resid  15 and name HE*  ))     5.24  5.24  0.00
 assign ((resid  10 and name HB2  ))   ( (resid  15 and name HE*  ))     5.50  5.50  0.00
 assign ((resid   8 and name HG*  ))   ( (resid  15 and name HE*  ))     5.33  5.33  0.00
 assign ((resid   8 and name HB*  ))   ( (resid  15 and name HE*  ))     5.50  5.50  0.00
 assign ((resid   4 and name HB*  ))   ( (resid  15 and name HE*  ))     3.62  3.62  0.00
 assign ((resid  25 and name HB1  ))   ( (resid  28 and name HN   ))     4.20  4.20  0.00
 assign ((resid  17 and name HB1  ))   ( (resid  23 and name HA   ))     4.63  4.63  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  34 and name HA   ))     4.08  4.08  0.00
 assign ((resid  11 and name HA   ))   ( (resid  16 and name HA   ))     4.79  4.79  0.00
 assign ((resid  17 and name HB2  ))   ( (resid  34 and name HA   ))     5.50  5.50  0.00
 assign ((resid  33 and name HA   ))   ( (resid  34 and name HA   ))     4.50  4.50  0.00
 assign ((resid   2 and name HA2  ))   ( (resid  15 and name HA   ))     4.37  4.37  0.00
 assign ((resid  15 and name HB1  ))   ( (resid  16 and name HD2  ))     4.84  4.84  0.00
 assign ((resid  28 and name HA2  ))   ( (resid  31 and name HB2  ))     4.46  4.46  0.00
 assign ((resid  26 and name HG12 ))   ( (resid  34 and name HA   ))     4.98  4.98  0.00
 assign ((resid  12 and name HA   ))   ( (resid  13 and name HB*  ))     5.49  5.49  0.00
 assign ((resid  12 and name HA   ))   ( (resid  12 and name HG2* ))     3.20  3.20  0.00
 assign ((resid  12 and name HA   ))   ( (resid  12 and name HG1* ))     2.85  2.85  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  32 and name HA2  ))     5.43  5.43  0.00
 assign ((resid   7 and name HA2  ))   ( (resid  33 and name HG2* ))     3.40  3.40  0.00
 assign ((resid  26 and name HA   ))   ( (resid  27 and name HB1  ))     4.22  4.22  0.00
 assign ((resid   6 and name HA   ))   ( (resid  23 and name HD1* ))     3.42  3.42  0.00
 assign ((resid   4 and name HB*  ))   ( (resid  10 and name HB2  ))     3.34  3.34  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  25 and name HB2  ))     3.54  3.54  0.00
 assign ((resid  26 and name HG11 ))   ( (resid  35 and name HB1  ))     5.34  5.34  0.00
 assign ((resid  35 and name HB1  ))   ( (resid  37 and name HD*  ))     5.24  5.24  0.00
 assign ((resid  26 and name HG12 ))   ( (resid  35 and name HB1  ))     5.32  5.32  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  28 and name HA1  ))     3.33  3.33  0.00
 assign ((resid  17 and name HB2  ))   ( (resid  23 and name HB1  ))     3.66  3.66  0.00
 assign ((resid  17 and name HB2  ))   ( (resid  23 and name HG   ))     5.34  5.34  0.00
 assign ((resid   4 and name HB*  ))   ( (resid  10 and name HB1  ))     3.57  3.57  0.00
 assign ((resid  26 and name HG11 ))   ( (resid  35 and name HB2  ))     4.19  4.19  0.00
 assign ((resid  17 and name HB1  ))   ( (resid  23 and name HG   ))     4.60  4.60  0.00
 assign ((resid  23 and name HG   ))   ( (resid  34 and name HB2  ))     5.50  5.50  0.00
 assign ((resid   4 and name HB*  ))   ( (resid   8 and name HB*  ))     3.22  3.22  0.00
 assign ((resid   4 and name HB*  ))   ( (resid   8 and name HG*  ))     3.55  3.55  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  25 and name HB1  ))     3.23  3.23  0.00
 assign ((resid  33 and name HG2* ))   ( (resid  34 and name HB2  ))     5.10  5.10  0.00
 assign ((resid  23 and name HB1  ))   ( (resid  23 and name HD2* ))     3.39  3.39  0.00
 assign ((resid  12 and name HG2* ))   ( (resid  13 and name HB*  ))     4.19  4.19  0.00
 assign ((resid  21 and name HB1  ))   ( (resid  23 and name HD2* ))     3.72  3.72  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  26 and name HG11 ))     3.60  3.60  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  26 and name HG12 ))     3.82  3.82  0.00
 assign ((resid   6 and name HB2  ))   ( (resid  23 and name HD1* ))     3.47  3.47  0.00
 assign ((resid  23 and name HB1  ))   ( (resid  23 and name HD1* ))     3.50  3.50  0.00
 assign ((resid  21 and name HB1  ))   ( (resid  23 and name HD1* ))     5.25  5.25  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  26 and name HG12 ))     3.38  3.38  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  26 and name HG11 ))     3.36  3.36  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  27 and name HG2  ))     5.15  5.15  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  26 and name HD1* ))     3.06  3.06  0.00
 assign ((resid  21 and name HD*  ))   ( (resid  23 and name HD2* ))     3.46  3.46  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  37 and name HD*  ))     3.88  3.88  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  26 and name HD1* ))     3.12  3.12  0.00
 assign ((resid  26 and name HB   ))   ( (resid  26 and name HD1* ))     3.39  3.39  0.00
 assign ((resid   6 and name HG*  ))   ( (resid  23 and name HD1* ))     3.30  3.30  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  27 and name HB2  ))     4.59  4.59  0.00
 assign ((resid  26 and name HD1* ))   ( (resid  27 and name HB2  ))     5.42  5.42  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  27 and name HB1  ))     3.55  3.55  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  27 and name HG1  ))     5.01  5.01  0.00
 assign ((resid  23 and name HD1* ))   ( (resid  34 and name HB2  ))     3.93  3.93  0.00
 assign ((resid  26 and name HD1* ))   ( (resid  27 and name HB1  ))     5.22  5.22  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  35 and name HB2  ))     3.98  3.98  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  35 and name HB2  ))     5.50  5.50  0.00
 assign ((resid  11 and name HB2  ))   ( (resid  12 and name HA   ))     5.50  5.50  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  26 and name HG2* ))     4.78  4.78  0.00
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HB2  ))     3.85  3.85  0.00
 assign ((resid  31 and name HN   ))   ( (resid  31 and name HB2  ))     4.16  4.16  0.00
 assign ((resid  22 and name HN   ))   ( (resid  23 and name HA   ))     5.14  5.14  0.00
 assign ((resid  16 and name HD2  ))   ( (resid  17 and name HN   ))     5.48  5.48  0.00
 assign ((resid  12 and name HG2* ))   ( (resid  13 and name HN   ))     4.18  4.18  0.00
 assign ((resid  24 and name HG2* ))   ( (resid  37 and name HN   ))     4.45  4.45  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  13 and name HN   ))     4.66  4.66  0.00
 assign ((resid  23 and name HD2* ))   ( (resid  37 and name HN   ))     4.98  4.98  0.00
 assign ((resid  13 and name HB*  ))   ( (resid  14 and name HA   ))     4.71  4.71  0.00
 assign ((resid  23 and name HD2* ))   ( (resid  36 and name HA   ))     4.12  4.12  0.00
 assign ((resid  24 and name HB   ))   ( (resid  37 and name HD*  ))     3.79  3.79  0.00
 assign ((resid  17 and name HB2  ))   ( (resid  23 and name HB2  ))     3.70  3.70  0.00
 assign ((resid  12 and name HG2* ))   ( (resid  13 and name HG2  ))     3.38  3.38  0.00
 assign ((resid  17 and name HB1  ))   ( (resid  23 and name HB1  ))     3.60  3.60  0.00
 assign ((resid  36 and name HA   ))   ( (resid  37 and name HA   ))     4.63  4.63  0.00
 assign ((resid  26 and name HN   ))   ( (resid  34 and name HA   ))     4.11  4.11  0.00
 assign ((resid   3 and name HB*  ))   ( (resid  18 and name HB*  ))     4.82  4.82  0.00
 assign ((resid   5 and name HB*  ))   ( (resid   6 and name HN   ))     3.66  3.66  0.00
 assign ((resid   5 and name HB*  ))   ( (resid   6 and name HB1  ))     5.10  5.10  0.00
 assign ((resid   5 and name HB*  ))   ( (resid   8 and name HN   ))     5.13  5.13  0.00
 assign ((resid   8 and name HG*  ))   ( (resid   9 and name HB*  ))     4.00  4.00  0.00
 assign ((resid   9 and name HN   ))   ( (resid   9 and name HB*  ))     2.56  2.56  0.00
 assign ((resid   9 and name HA   ))   ( (resid  32 and name HA*  ))     5.34  5.34  0.00
 assign ((resid  12 and name HG1* ))   ( (resid  29 and name HD2* ))     5.24  5.24  0.00
 assign ((resid  12 and name HG2* ))   ( (resid  29 and name HD2* ))     5.12  5.12  0.00
 assign ((resid  18 and name HN   ))   ( (resid  18 and name HB*  ))     3.26  3.26  0.00
 assign ((resid  18 and name HB*  ))   ( (resid  19 and name HD*  ))     4.38  4.38  0.00
 assign ((resid  18 and name HB*  ))   ( (resid  21 and name HB2  ))     4.48  4.48  0.00
 assign ((resid  18 and name HB*  ))   ( (resid  21 and name HG   ))     4.03  4.03  0.00
 assign ((resid  18 and name HB*  ))   ( (resid  21 and name HD*  ))     3.23  3.23  0.00
 assign ((resid  18 and name HB*  ))   ( (resid  23 and name HN   ))     5.32  5.32  0.00
 assign ((resid  18 and name HB*  ))   ( (resid  23 and name HG   ))     4.24  4.24  0.00
 assign ((resid  18 and name HB*  ))   ( (resid  23 and name HD2* ))     3.93  3.93  0.00
 assign ((resid  19 and name HB2  ))   ( (resid  20 and name HA*  ))     4.25  4.25  0.00
 assign ((resid  20 and name HA*  ))   ( (resid  22 and name HN   ))     5.03  5.03  0.00
 assign ((resid  23 and name HA   ))   ( (resid  37 and name HB*  ))     5.34  5.34  0.00
 assign ((resid  25 and name HA   ))   ( (resid  32 and name HA*  ))     4.31  4.31  0.00
 assign ((resid  26 and name HN   ))   ( (resid  32 and name HA*  ))     3.79  3.79  0.00
 assign ((resid  26 and name HA   ))   ( (resid  32 and name HA*  ))     4.46  4.46  0.00
 assign ((resid  26 and name HG2* ))   ( (resid  32 and name HA*  ))     4.65  4.65  0.00
 assign ((resid  28 and name HN   ))   ( (resid  32 and name HA*  ))     3.41  3.41  0.00
 assign ((resid  28 and name HA1  ))   ( (resid  32 and name HA*  ))     4.66  4.66  0.00
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HB*  ))     3.58  3.58  0.00
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HD2* ))     5.24  5.24  0.00
 assign ((resid  29 and name HA   ))   ( (resid  29 and name HD2* ))     4.05  4.05  0.00
 assign ((resid  29 and name HA   ))   ( (resid  30 and name HB*  ))     4.06  4.06  0.00
 assign ((resid  29 and name HB*  ))   ( (resid  29 and name HD2* ))     2.87  2.87  0.00
 assign ((resid  29 and name HB*  ))   ( (resid  30 and name HA   ))     3.52  3.52  0.00
 assign ((resid  29 and name HB*  ))   ( (resid  31 and name HN   ))     5.20  5.20  0.00
 assign ((resid  31 and name HA   ))   ( (resid  32 and name HA*  ))     4.40  4.40  0.00
 assign ((resid  31 and name HB2  ))   ( (resid  32 and name HA*  ))     4.64  4.64  0.00
 assign ((resid  32 and name HA*  ))   ( (resid  33 and name HA   ))     5.31  5.31  0.00
 assign ((resid  37 and name HN   ))   ( (resid  37 and name HB*  ))     3.41  3.41  0.00
 assign ((resid   1 and name HN   ))   ( (resid   2 and name HN   ))     4.00  4.00  0.00
 assign ((resid   1 and name HA   ))   ( (resid   3 and name HN   ))     5.50  5.50  0.00
 assign ((resid   1 and name HN   ))   ( (resid   1 and name HG*  ))     5.34  5.34  0.00
 assign ((resid   1 and name HB*  ))   ( (resid   3 and name HN   ))     5.34  5.34  0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PCA   1           H1       PCA   1 -10.009   7.366   3.091
    2    HA   PCA   1           HA       PCA   1 -10.440   4.820   3.750
    3    HB2  PCA   1           3HB      PCA   1 -12.613   4.627   2.750
    4    HB3  PCA   1           2HB      PCA   1 -11.682   4.240   1.251
    5    HG2  PCA   1           3HG      PCA   1 -13.709   5.959   2.597
    6    HG3  PCA   1           2HG      PCA   1 -13.001   6.325   1.003
    7    H    GLY   2           H        GLY   2  -8.817   3.533   2.991
    8    HA2  GLY   2           2HA      GLY   2  -7.413   2.632   1.288
    9    HA3  GLY   2           3HA      GLY   2  -7.571   4.138   0.398
   10    H    CYS   3           H        CYS   3  -6.541   3.199   3.677
   11    HA   CYS   3           HA       CYS   3  -3.959   4.514   3.211
   12    HB2  CYS   3           2HB      CYS   3  -5.797   5.882   4.568
   13    HB3  CYS   3           3HB      CYS   3  -5.240   4.863   5.889
   14    H    ALA   4           H        ALA   4  -2.496   2.976   3.453
   15    HA   ALA   4           HA       ALA   4  -2.836   1.008   5.621
   16    HB1  ALA   4           3HB      ALA   4  -1.993  -0.678   4.308
   17    HB2  ALA   4           1HB      ALA   4  -1.102   0.431   3.267
   18    HB3  ALA   4           2HB      ALA   4  -2.851   0.286   3.105
   19    H    PHE   5           H        PHE   5  -1.003   0.417   6.825
   20    HA   PHE   5           HA       PHE   5   1.075   2.468   6.939
   21    HB2  PHE   5           2HB      PHE   5   0.259   0.266   8.843
   22    HB3  PHE   5           3HB      PHE   5   1.673   1.279   9.106
   23    HD1  PHE   5           HD1      PHE   5   1.439   3.611   9.714
   24    HD2  PHE   5           HD2      PHE   5  -1.977   1.152   9.082
   25    HE1  PHE   5           HE1      PHE   5   0.025   5.298  10.813
   26    HE2  PHE   5           HE2      PHE   5  -3.397   2.835  10.179
   27    HZ   PHE   5           HZ       PHE   5  -2.396   4.912  11.046
   28    H    GLU   6           H        GLU   6   3.343   1.579   7.624
   29    HA   GLU   6           HA       GLU   6   4.378   0.060   5.472
   30    HB2  GLU   6           2HB      GLU   6   5.584   1.804   6.900
   31    HB3  GLU   6           3HB      GLU   6   5.813   0.530   8.084
   32    HG2  GLU   6           2HG      GLU   6   6.965  -0.792   6.285
   33    HG3  GLU   6           3HG      GLU   6   6.895   0.653   5.278
   34    H    GLY   7           H        GLY   7   4.939  -2.016   5.260
   35    HA2  GLY   7           2HA      GLY   7   5.322  -4.248   5.829
   36    HA3  GLY   7           3HA      GLY   7   4.958  -3.859   7.502
   37    H    GLU   8           H        GLU   8   2.457  -2.553   5.924
   38    HA   GLU   8           HA       GLU   8   0.734  -4.861   6.407
   39    HB2  GLU   8           2HB      GLU   8   0.363  -2.399   7.239
   40    HB3  GLU   8           3HB      GLU   8  -0.266  -2.143   5.618
   41    HG2  GLU   8           2HG      GLU   8  -1.942  -3.861   5.968
   42    HG3  GLU   8           3HG      GLU   8  -1.289  -4.194   7.572
   43    H    SER   9           H        SER   9  -0.931  -5.447   4.873
   44    HA   SER   9           HA       SER   9   0.018  -5.250   2.114
   45    HB2  SER   9           2HB      SER   9  -2.022  -7.109   3.360
   46    HB3  SER   9           3HB      SER   9  -1.485  -7.166   1.682
   47    HG   SER   9           HG       SER   9   0.165  -7.511   3.967
   48    H    CYS  10           H        CYS  10  -0.844  -3.777   0.842
   49    HA   CYS  10           HA       CYS  10  -3.680  -3.059   1.199
   50    HB2  CYS  10           2HB      CYS  10  -3.244  -0.817   0.813
   51    HB3  CYS  10           3HB      CYS  10  -1.802  -1.300   1.695
   52    H    ASN  11           H        ASN  11  -4.864  -2.529  -0.710
   53    HA   ASN  11           HA       ASN  11  -3.926  -3.973  -3.080
   54    HB2  ASN  11           2HB      ASN  11  -6.724  -3.010  -2.490
   55    HB3  ASN  11           3HB      ASN  11  -6.235  -4.116  -3.765
   56   HD21  ASN  11          1HD2      ASN  11  -6.455  -3.729  -0.281
   57   HD22  ASN  11          2HD2      ASN  11  -6.617  -5.412   0.084
   58    H    VAL  12           H        VAL  12  -3.718  -2.985  -5.044
   59    HA   VAL  12           HA       VAL  12  -3.752  -0.068  -4.971
   60    HB   VAL  12           HB       VAL  12  -2.475  -0.115  -7.062
   61   HG11  VAL  12          1HG1      VAL  12  -1.232  -0.159  -4.998
   62   HG12  VAL  12          2HG1      VAL  12  -0.415  -1.171  -6.191
   63   HG13  VAL  12          3HG1      VAL  12  -1.373  -1.915  -4.909
   64   HG21  VAL  12          3HG2      VAL  12  -3.536  -2.273  -7.892
   65   HG22  VAL  12          1HG2      VAL  12  -2.368  -3.117  -6.875
   66   HG23  VAL  12          2HG2      VAL  12  -1.806  -2.080  -8.187
   67    H    GLU  13           H        GLU  13  -6.178  -1.837  -5.232
   68    HA   GLU  13           HA       GLU  13  -7.221  -0.855  -7.805
   69    HB2  GLU  13           2HB      GLU  13  -8.109  -3.201  -6.120
   70    HB3  GLU  13           3HB      GLU  13  -8.872  -2.695  -7.617
   71    HG2  GLU  13           2HG      GLU  13  -5.972  -3.457  -7.544
   72    HG3  GLU  13           3HG      GLU  13  -7.239  -4.681  -7.643
   73    H    PHE  14           H        PHE  14  -7.737  -0.973  -4.337
   74    HA   PHE  14           HA       PHE  14  -9.816   1.056  -4.545
   75    HB2  PHE  14           2HB      PHE  14 -11.224  -0.324  -2.841
   76    HB3  PHE  14           3HB      PHE  14 -11.294  -0.751  -4.546
   77    HD1  PHE  14           HD2      PHE  14 -10.235  -2.772  -5.376
   78    HD2  PHE  14           HD1      PHE  14 -10.201  -1.796  -1.240
   79    HE1  PHE  14           HE2      PHE  14  -9.507  -5.059  -4.849
   80    HE2  PHE  14           HE1      PHE  14  -9.464  -4.079  -0.702
   81    HZ   PHE  14           HZ       PHE  14  -9.104  -5.700  -2.514
   82    H    TYR  15           H        TYR  15  -7.919  -0.990  -2.322
   83    HA   TYR  15           HA       TYR  15  -7.819   1.274  -0.435
   84    HB2  TYR  15           2HB      TYR  15  -8.951  -0.931   0.291
   85    HB3  TYR  15           3HB      TYR  15  -7.325  -1.590   0.347
   86    HD1  TYR  15           HD2      TYR  15  -5.669  -0.648   2.000
   87    HD2  TYR  15           HD1      TYR  15  -9.776   0.485   2.013
   88    HE1  TYR  15           HE2      TYR  15  -5.416   0.223   4.281
   89    HE2  TYR  15           HE1      TYR  15  -9.528   1.362   4.296
   90    HH   TYR  15           HH       TYR  15  -6.509   1.852   5.762
   91    HA   PRO  16           HA       PRO  16  -3.438   0.587  -1.977
   92    HB2  PRO  16           2HB      PRO  16  -2.865   3.201  -2.477
   93    HB3  PRO  16           3HB      PRO  16  -3.698   2.169  -3.656
   94    HG2  PRO  16           2HG      PRO  16  -4.846   4.180  -1.775
   95    HG3  PRO  16           3HG      PRO  16  -5.232   3.884  -3.482
   96    HD2  PRO  16           2HD      PRO  16  -6.763   2.939  -1.455
   97    HD3  PRO  16           3HD      PRO  16  -6.592   2.101  -3.007
   98    H    CYS  17           H        CYS  17  -1.422   2.157  -1.253
   99    HA   CYS  17           HA       CYS  17  -1.275   1.913   1.577
  100    HB2  CYS  17           2HB      CYS  17   0.580   3.178  -0.449
  101    HB3  CYS  17           3HB      CYS  17   0.956   3.061   1.262
  102    H    CYS  18           H        CYS  18  -0.093   4.018   2.707
  103    HA   CYS  18           HA       CYS  18  -2.179   6.015   2.790
  104    HB2  CYS  18           2HB      CYS  18   0.200   5.377   4.489
  105    HB3  CYS  18           3HB      CYS  18  -0.566   6.956   4.627
  106    HA   PRO  19           HA       PRO  19   0.194   8.681   0.027
  107    HB2  PRO  19           2HB      PRO  19  -1.709  10.575  -0.337
  108    HB3  PRO  19           3HB      PRO  19  -1.783   8.989  -1.126
  109    HG2  PRO  19           2HG      PRO  19  -3.294   9.998   1.219
  110    HG3  PRO  19           3HG      PRO  19  -3.810   8.903  -0.076
  111    HD2  PRO  19           2HD      PRO  19  -3.032   8.106   2.462
  112    HD3  PRO  19           3HD      PRO  19  -3.068   7.062   1.029
  113    H    GLY  20           H        GLY  20   1.138  10.778   0.061
  114    HA2  GLY  20           2HA      GLY  20   1.658  12.873   1.009
  115    HA3  GLY  20           3HA      GLY  20   0.736  12.434   2.437
  116    H    LEU  21           H        LEU  21   2.059   9.841   2.739
  117    HA   LEU  21           HA       LEU  21   4.398  10.743   4.180
  118    HB2  LEU  21           2HB      LEU  21   3.371   7.920   3.917
  119    HB3  LEU  21           3HB      LEU  21   4.445   8.540   5.146
  120    HG   LEU  21           HG       LEU  21   1.582   9.456   4.868
  121   HD11  LEU  21          1HD1      LEU  21   1.005   7.896   6.625
  122   HD12  LEU  21          2HD1      LEU  21   2.661   7.292   6.667
  123   HD13  LEU  21          3HD1      LEU  21   1.664   7.031   5.237
  124   HD21  LEU  21          3HD2      LEU  21   1.874  10.150   7.205
  125   HD22  LEU  21          1HD2      LEU  21   3.029  10.953   6.142
  126   HD23  LEU  21          2HD2      LEU  21   3.551   9.607   7.156
  127    H    GLY  22           H        GLY  22   3.824   8.087   1.839
  128    HA2  GLY  22           2HA      GLY  22   5.349   8.292  -0.197
  129    HA3  GLY  22           3HA      GLY  22   6.638   8.337   0.993
  130    H    LEU  23           H        LEU  23   3.755   6.283   1.158
  131    HA   LEU  23           HA       LEU  23   5.478   3.934   1.298
  132    HB2  LEU  23           2HB      LEU  23   2.565   4.434   1.872
  133    HB3  LEU  23           3HB      LEU  23   3.156   2.803   1.676
  134    HG   LEU  23           HG       LEU  23   2.926   3.390   4.028
  135   HD11  LEU  23          1HD1      LEU  23   4.765   1.859   3.223
  136   HD12  LEU  23          2HD1      LEU  23   4.959   2.557   4.829
  137   HD13  LEU  23          3HD1      LEU  23   5.866   3.214   3.469
  138   HD21  LEU  23          3HD2      LEU  23   3.224   5.710   4.115
  139   HD22  LEU  23          1HD2      LEU  23   4.821   5.619   3.371
  140   HD23  LEU  23          2HD2      LEU  23   4.577   5.026   5.014
  141    H    THR  24           H        THR  24   5.075   2.028   0.080
  142    HA   THR  24           HA       THR  24   3.519   2.277  -2.378
  143    HB   THR  24           HB       THR  24   5.722   3.010  -3.096
  144    HG1  THR  24           HG1      THR  24   4.619   1.675  -4.562
  145   HG21  THR  24          3HG2      THR  24   7.192   2.098  -1.435
  146   HG22  THR  24          1HG2      THR  24   7.680   1.436  -2.996
  147   HG23  THR  24          2HG2      THR  24   6.750   0.446  -1.868
  148    H    CYS  25           H        CYS  25   2.423   0.449  -2.822
  149    HA   CYS  25           HA       CYS  25   2.823  -1.865  -1.119
  150    HB2  CYS  25           2HB      CYS  25   0.635  -0.728  -2.599
  151    HB3  CYS  25           3HB      CYS  25   0.829  -2.421  -3.031
  152    H    ILE  26           H        ILE  26   3.967  -3.591  -1.637
  153    HA   ILE  26           HA       ILE  26   4.552  -4.120  -4.475
  154    HB   ILE  26           HB       ILE  26   6.451  -4.601  -2.169
  155   HG12  ILE  26          2HG1      ILE  26   6.182  -2.188  -2.541
  156   HG13  ILE  26          3HG1      ILE  26   7.786  -2.717  -3.007
  157   HG21  ILE  26          1HG2      ILE  26   6.677  -6.136  -4.124
  158   HG22  ILE  26          2HG2      ILE  26   8.116  -5.179  -3.770
  159   HG23  ILE  26          3HG2      ILE  26   7.067  -4.729  -5.115
  160   HD11  ILE  26          3HD1      ILE  26   5.504  -2.042  -4.864
  161   HD12  ILE  26          1HD1      ILE  26   7.078  -2.651  -5.379
  162   HD13  ILE  26          2HD1      ILE  26   6.958  -1.083  -4.580
  163    HA   PRO  27           HA       PRO  27   4.607  -5.521  -5.989
  164    HB2  PRO  27           2HB      PRO  27   2.778  -6.969  -7.354
  165    HB3  PRO  27           3HB      PRO  27   4.362  -7.615  -6.892
  166    HG2  PRO  27           2HG      PRO  27   1.710  -8.049  -5.608
  167    HG3  PRO  27           3HG      PRO  27   3.009  -9.215  -5.930
  168    HD2  PRO  27           2HD      PRO  27   2.599  -8.088  -3.487
  169    HD3  PRO  27           3HD      PRO  27   4.193  -8.613  -4.061
  170    H    GLY  28           H        GLY  28   1.470  -5.969  -4.442
  171    HA2  GLY  28           2HA      GLY  28  -0.032  -4.168  -4.056
  172    HA3  GLY  28           3HA      GLY  28   0.611  -3.358  -5.475
  173    H    ASN  29           H        ASN  29   0.370  -5.982  -7.006
  174    HA   ASN  29           HA       ASN  29  -2.543  -5.824  -7.464
  175    HB2  ASN  29           2HB      ASN  29  -0.285  -6.355  -9.405
  176    HB3  ASN  29           3HB      ASN  29  -1.978  -6.620  -9.807
  177   HD21  ASN  29          1HD2      ASN  29   0.479  -4.263  -9.135
  178   HD22  ASN  29          2HD2      ASN  29  -0.400  -2.887  -9.699
  179    HA   PRO  30           HA       PRO  30  -4.408  -6.855  -7.246
  180    HB2  PRO  30           2HB      PRO  30  -5.697  -8.183  -5.245
  181    HB3  PRO  30           3HB      PRO  30  -5.761  -8.695  -6.942
  182    HG2  PRO  30           2HG      PRO  30  -4.097  -9.762  -4.714
  183    HG3  PRO  30           3HG      PRO  30  -4.966 -10.635  -5.993
  184    HD2  PRO  30           2HD      PRO  30  -2.300 -10.192  -6.094
  185    HD3  PRO  30           3HD      PRO  30  -3.312 -10.281  -7.547
  186    H    ASP  31           H        ASP  31  -2.303  -7.879  -4.640
  187    HA   ASP  31           HA       ASP  31  -2.404  -5.247  -3.442
  188    HB2  ASP  31           2HB      ASP  31  -2.784  -6.171  -1.123
  189    HB3  ASP  31           3HB      ASP  31  -4.199  -6.186  -2.165
  190    H    GLY  32           H        GLY  32  -0.653  -4.799  -2.058
  191    HA2  GLY  32           2HA      GLY  32   1.445  -6.851  -1.878
  192    HA3  GLY  32           3HA      GLY  32   1.824  -5.308  -2.629
  193    H    THR  33           H        THR  33   3.480  -5.396  -0.851
  194    HA   THR  33           HA       THR  33   2.420  -4.620   1.762
  195    HB   THR  33           HB       THR  33   5.039  -4.672   2.234
  196    HG1  THR  33           HG1      THR  33   4.711  -6.568   0.133
  197   HG21  THR  33          3HG2      THR  33   3.295  -7.125   2.027
  198   HG22  THR  33          1HG2      THR  33   3.369  -6.012   3.394
  199   HG23  THR  33          2HG2      THR  33   4.774  -6.996   2.979
  200    H    CYS  34           H        CYS  34   2.620  -2.673   2.617
  201    HA   CYS  34           HA       CYS  34   3.426  -0.492   0.913
  202    HB2  CYS  34           2HB      CYS  34   2.234  -0.627   3.682
  203    HB3  CYS  34           3HB      CYS  34   2.693   0.894   2.926
  204    H    TYR  35           H        TYR  35   5.476  -0.089   0.681
  205    HA   TYR  35           HA       TYR  35   7.259  -0.091   3.023
  206    HB2  TYR  35           2HB      TYR  35   7.779  -0.650   0.111
  207    HB3  TYR  35           3HB      TYR  35   9.086  -0.188   1.195
  208    HD1  TYR  35           HD2      TYR  35   9.406  -1.623   3.313
  209    HD2  TYR  35           HD1      TYR  35   7.131  -2.892  -0.056
  210    HE1  TYR  35           HE2      TYR  35   9.637  -3.950   4.044
  211    HE2  TYR  35           HE1      TYR  35   7.354  -5.226   0.672
  212    HH   TYR  35           HH       TYR  35   8.473  -6.101   3.754
  213    H    TYR  36           H        TYR  36   8.680   1.629   3.336
  214    HA   TYR  36           HA       TYR  36   7.700   4.175   2.393
  215    HB2  TYR  36           2HB      TYR  36   9.486   3.237   4.515
  216    HB3  TYR  36           3HB      TYR  36  10.030   4.731   3.759
  217    HD1  TYR  36           HD1      TYR  36   8.273   6.639   3.569
  218    HD2  TYR  36           HD2      TYR  36   7.862   3.307   6.186
  219    HE1  TYR  36           HE1      TYR  36   6.681   7.916   4.935
  220    HE2  TYR  36           HE2      TYR  36   6.264   4.576   7.556
  221    HH   TYR  36           HH       TYR  36   5.694   6.922   8.024
  222    H    LEU  37           H        LEU  37   8.451   5.387   0.803
  223    HA   LEU  37           HA       LEU  37  10.572   4.398  -0.879
  224    HB2  LEU  37           2HB      LEU  37   8.751   6.790  -1.119
  225    HB3  LEU  37           3HB      LEU  37   9.967   6.378  -2.311
  226    HG   LEU  37           HG       LEU  37   7.914   4.327  -1.590
  227   HD11  LEU  37          1HD1      LEU  37   6.598   6.334  -1.943
  228   HD12  LEU  37          2HD1      LEU  37   6.414   5.234  -3.309
  229   HD13  LEU  37          3HD1      LEU  37   7.452   6.652  -3.453
  230   HD21  LEU  37          3HD2      LEU  37   9.327   5.050  -4.158
  231   HD22  LEU  37          1HD2      LEU  37   8.217   3.698  -3.935
  232   HD23  LEU  37          2HD2      LEU  37   9.758   3.725  -3.077
  Start of MODEL    2
    1    H1   PCA   1           H1       PCA   1 -10.267   7.066   4.097
    2    HA   PCA   1           HA       PCA   1 -10.439   4.705   3.858
    3    HB2  PCA   1           3HB      PCA   1 -12.623   4.629   2.867
    4    HB3  PCA   1           2HB      PCA   1 -11.713   4.344   1.334
    5    HG2  PCA   1           3HG      PCA   1 -13.694   5.990   2.832
    6    HG3  PCA   1           2HG      PCA   1 -12.994   6.466   1.262
    7    H    GLY   2           H        GLY   2  -8.816   3.480   3.022
    8    HA2  GLY   2           2HA      GLY   2  -7.422   2.668   1.273
    9    HA3  GLY   2           3HA      GLY   2  -7.610   4.205   0.443
   10    H    CYS   3           H        CYS   3  -6.547   3.214   3.695
   11    HA   CYS   3           HA       CYS   3  -3.962   4.519   3.222
   12    HB2  CYS   3           2HB      CYS   3  -5.789   5.893   4.590
   13    HB3  CYS   3           3HB      CYS   3  -5.228   4.870   5.906
   14    H    ALA   4           H        ALA   4  -2.504   2.976   3.457
   15    HA   ALA   4           HA       ALA   4  -2.843   1.006   5.623
   16    HB1  ALA   4           3HB      ALA   4  -2.014  -0.680   4.303
   17    HB2  ALA   4           1HB      ALA   4  -1.114   0.426   3.266
   18    HB3  ALA   4           2HB      ALA   4  -2.866   0.292   3.102
   19    H    PHE   5           H        PHE   5  -1.020   0.426   6.838
   20    HA   PHE   5           HA       PHE   5   1.065   2.469   6.944
   21    HB2  PHE   5           2HB      PHE   5   0.249   0.265   8.846
   22    HB3  PHE   5           3HB      PHE   5   1.664   1.279   9.109
   23    HD1  PHE   5           HD1      PHE   5   1.429   3.608   9.722
   24    HD2  PHE   5           HD2      PHE   5  -1.987   1.151   9.086
   25    HE1  PHE   5           HE1      PHE   5   0.016   5.294  10.825
   26    HE2  PHE   5           HE2      PHE   5  -3.406   2.833  10.185
   27    HZ   PHE   5           HZ       PHE   5  -2.406   4.908  11.056
   28    H    GLU   6           H        GLU   6   3.334   1.582   7.622
   29    HA   GLU   6           HA       GLU   6   4.365   0.060   5.470
   30    HB2  GLU   6           2HB      GLU   6   5.574   1.804   6.897
   31    HB3  GLU   6           3HB      GLU   6   5.805   0.529   8.079
   32    HG2  GLU   6           2HG      GLU   6   6.947  -0.792   6.265
   33    HG3  GLU   6           3HG      GLU   6   6.886   0.665   5.275
   34    H    GLY   7           H        GLY   7   4.935  -2.016   5.262
   35    HA2  GLY   7           2HA      GLY   7   5.319  -4.247   5.831
   36    HA3  GLY   7           3HA      GLY   7   4.952  -3.858   7.504
   37    H    GLU   8           H        GLU   8   2.450  -2.556   5.924
   38    HA   GLU   8           HA       GLU   8   0.732  -4.869   6.404
   39    HB2  GLU   8           2HB      GLU   8   0.354  -2.412   7.243
   40    HB3  GLU   8           3HB      GLU   8  -0.271  -2.149   5.621
   41    HG2  GLU   8           2HG      GLU   8  -1.944  -3.873   5.961
   42    HG3  GLU   8           3HG      GLU   8  -1.298  -4.207   7.566
   43    H    SER   9           H        SER   9  -0.932  -5.454   4.870
   44    HA   SER   9           HA       SER   9   0.017  -5.253   2.112
   45    HB2  SER   9           2HB      SER   9  -2.023  -7.114   3.355
   46    HB3  SER   9           3HB      SER   9  -1.488  -7.167   1.675
   47    HG   SER   9           HG       SER   9   0.718  -7.255   2.913
   48    H    CYS  10           H        CYS  10  -0.843  -3.778   0.839
   49    HA   CYS  10           HA       CYS  10  -3.679  -3.060   1.196
   50    HB2  CYS  10           2HB      CYS  10  -3.242  -0.818   0.811
   51    HB3  CYS  10           3HB      CYS  10  -1.800  -1.302   1.692
   52    H    ASN  11           H        ASN  11  -4.864  -2.533  -0.712
   53    HA   ASN  11           HA       ASN  11  -3.926  -3.974  -3.082
   54    HB2  ASN  11           2HB      ASN  11  -6.724  -3.012  -2.491
   55    HB3  ASN  11           3HB      ASN  11  -6.236  -4.116  -3.767
   56   HD21  ASN  11          1HD2      ASN  11  -6.456  -3.733  -0.283
   57   HD22  ASN  11          2HD2      ASN  11  -6.616  -5.416   0.081
   58    H    VAL  12           H        VAL  12  -3.718  -2.984  -5.046
   59    HA   VAL  12           HA       VAL  12  -3.753  -0.068  -4.972
   60    HB   VAL  12           HB       VAL  12  -2.477  -0.114  -7.064
   61   HG11  VAL  12          1HG1      VAL  12  -1.232  -0.156  -5.002
   62   HG12  VAL  12          2HG1      VAL  12  -0.416  -1.172  -6.193
   63   HG13  VAL  12          3HG1      VAL  12  -1.375  -1.913  -4.910
   64   HG21  VAL  12          3HG2      VAL  12  -3.538  -2.273  -7.892
   65   HG22  VAL  12          1HG2      VAL  12  -2.367  -3.115  -6.876
   66   HG23  VAL  12          2HG2      VAL  12  -1.808  -2.078  -8.189
   67    H    GLU  13           H        GLU  13  -6.178  -1.839  -5.233
   68    HA   GLU  13           HA       GLU  13  -7.223  -0.856  -7.806
   69    HB2  GLU  13           2HB      GLU  13  -8.109  -3.203  -6.122
   70    HB3  GLU  13           3HB      GLU  13  -8.872  -2.697  -7.619
   71    HG2  GLU  13           2HG      GLU  13  -5.972  -3.457  -7.546
   72    HG3  GLU  13           3HG      GLU  13  -7.239  -4.681  -7.647
   73    H    PHE  14           H        PHE  14  -7.734  -0.972  -4.337
   74    HA   PHE  14           HA       PHE  14  -9.816   1.056  -4.544
   75    HB2  PHE  14           2HB      PHE  14 -11.223  -0.325  -2.841
   76    HB3  PHE  14           3HB      PHE  14 -11.294  -0.751  -4.546
   77    HD1  PHE  14           HD1      PHE  14 -10.233  -2.771  -5.379
   78    HD2  PHE  14           HD2      PHE  14 -10.203  -1.800  -1.242
   79    HE1  PHE  14           HE1      PHE  14  -9.501  -5.057  -4.854
   80    HE2  PHE  14           HE2      PHE  14  -9.472  -4.085  -0.705
   81    HZ   PHE  14           HZ       PHE  14  -9.105  -5.703  -2.519
   82    H    TYR  15           H        TYR  15  -7.917  -0.991  -2.323
   83    HA   TYR  15           HA       TYR  15  -7.818   1.269  -0.434
   84    HB2  TYR  15           2HB      TYR  15  -8.951  -0.936   0.289
   85    HB3  TYR  15           3HB      TYR  15  -7.325  -1.595   0.346
   86    HD1  TYR  15           HD1      TYR  15  -5.671  -0.653   2.000
   87    HD2  TYR  15           HD2      TYR  15  -9.778   0.475   2.012
   88    HE1  TYR  15           HE1      TYR  15  -5.421   0.215   4.283
   89    HE2  TYR  15           HE2      TYR  15  -9.533   1.349   4.296
   90    HH   TYR  15           HH       TYR  15  -6.516   1.840   5.766
   91    HA   PRO  16           HA       PRO  16  -3.437   0.582  -1.976
   92    HB2  PRO  16           2HB      PRO  16  -2.863   3.195  -2.478
   93    HB3  PRO  16           3HB      PRO  16  -3.698   2.164  -3.655
   94    HG2  PRO  16           2HG      PRO  16  -4.843   4.175  -1.773
   95    HG3  PRO  16           3HG      PRO  16  -5.231   3.881  -3.480
   96    HD2  PRO  16           2HD      PRO  16  -6.761   2.936  -1.453
   97    HD3  PRO  16           3HD      PRO  16  -6.591   2.098  -3.005
   98    H    CYS  17           H        CYS  17  -1.422   2.155  -1.254
   99    HA   CYS  17           HA       CYS  17  -1.271   1.910   1.575
  100    HB2  CYS  17           2HB      CYS  17   0.581   3.173  -0.454
  101    HB3  CYS  17           3HB      CYS  17   0.959   3.060   1.257
  102    H    CYS  18           H        CYS  18  -0.086   4.016   2.703
  103    HA   CYS  18           HA       CYS  18  -2.174   6.012   2.788
  104    HB2  CYS  18           2HB      CYS  18   0.209   5.376   4.484
  105    HB3  CYS  18           3HB      CYS  18  -0.558   6.955   4.624
  106    HA   PRO  19           HA       PRO  19   0.196   8.677   0.021
  107    HB2  PRO  19           2HB      PRO  19  -1.711  10.567  -0.346
  108    HB3  PRO  19           3HB      PRO  19  -1.782   8.980  -1.132
  109    HG2  PRO  19           2HG      PRO  19  -3.294   9.990   1.211
  110    HG3  PRO  19           3HG      PRO  19  -3.810   8.893  -0.082
  111    HD2  PRO  19           2HD      PRO  19  -3.030   8.101   2.457
  112    HD3  PRO  19           3HD      PRO  19  -3.064   7.055   1.026
  113    H    GLY  20           H        GLY  20   1.137  10.775   0.053
  114    HA2  GLY  20           2HA      GLY  20   1.653  12.872   0.997
  115    HA3  GLY  20           3HA      GLY  20   0.732  12.433   2.426
  116    H    LEU  21           H        LEU  21   2.058   9.843   2.731
  117    HA   LEU  21           HA       LEU  21   4.395  10.749   4.172
  118    HB2  LEU  21           2HB      LEU  21   3.372   7.924   3.911
  119    HB3  LEU  21           3HB      LEU  21   4.447   8.547   5.139
  120    HG   LEU  21           HG       LEU  21   1.582   9.459   4.862
  121   HD11  LEU  21          1HD1      LEU  21   1.009   7.901   6.621
  122   HD12  LEU  21          2HD1      LEU  21   2.667   7.300   6.664
  123   HD13  LEU  21          3HD1      LEU  21   1.668   7.035   5.235
  124   HD21  LEU  21          3HD2      LEU  21   1.875  10.155   7.198
  125   HD22  LEU  21          1HD2      LEU  21   3.026  10.961   6.132
  126   HD23  LEU  21          2HD2      LEU  21   3.553   9.618   7.147
  127    H    GLY  22           H        GLY  22   3.829   8.084   1.839
  128    HA2  GLY  22           2HA      GLY  22   5.357   8.292  -0.197
  129    HA3  GLY  22           3HA      GLY  22   6.642   8.337   0.995
  130    H    LEU  23           H        LEU  23   3.759   6.286   1.153
  131    HA   LEU  23           HA       LEU  23   5.480   3.934   1.295
  132    HB2  LEU  23           2HB      LEU  23   2.567   4.436   1.867
  133    HB3  LEU  23           3HB      LEU  23   3.158   2.804   1.673
  134    HG   LEU  23           HG       LEU  23   2.926   3.395   4.025
  135   HD11  LEU  23          1HD1      LEU  23   5.866   3.215   3.465
  136   HD12  LEU  23          2HD1      LEU  23   4.764   1.862   3.222
  137   HD13  LEU  23          3HD1      LEU  23   4.959   2.560   4.827
  138   HD21  LEU  23          3HD2      LEU  23   4.824   5.622   3.366
  139   HD22  LEU  23          1HD2      LEU  23   4.578   5.031   5.009
  140   HD23  LEU  23          2HD2      LEU  23   3.227   5.714   4.109
  141    H    THR  24           H        THR  24   5.075   2.028   0.078
  142    HA   THR  24           HA       THR  24   3.520   2.276  -2.381
  143    HB   THR  24           HB       THR  24   5.724   3.008  -3.099
  144    HG1  THR  24           HG1      THR  24   4.525   0.773  -4.031
  145   HG21  THR  24          3HG2      THR  24   7.681   1.432  -2.997
  146   HG22  THR  24          1HG2      THR  24   6.750   0.445  -1.867
  147   HG23  THR  24          2HG2      THR  24   7.194   2.097  -1.437
  148    H    CYS  25           H        CYS  25   2.426   0.446  -2.827
  149    HA   CYS  25           HA       CYS  25   2.826  -1.866  -1.120
  150    HB2  CYS  25           2HB      CYS  25   0.637  -0.730  -2.601
  151    HB3  CYS  25           3HB      CYS  25   0.831  -2.424  -3.031
  152    H    ILE  26           H        ILE  26   3.969  -3.592  -1.636
  153    HA   ILE  26           HA       ILE  26   4.556  -4.123  -4.473
  154    HB   ILE  26           HB       ILE  26   6.452  -4.604  -2.166
  155   HG12  ILE  26          2HG1      ILE  26   6.185  -2.190  -2.541
  156   HG13  ILE  26          3HG1      ILE  26   7.791  -2.722  -3.002
  157   HG21  ILE  26          1HG2      ILE  26   6.677  -6.141  -4.120
  158   HG22  ILE  26          2HG2      ILE  26   8.118  -5.188  -3.762
  159   HG23  ILE  26          3HG2      ILE  26   7.073  -4.735  -5.110
  160   HD11  ILE  26          3HD1      ILE  26   6.968  -1.089  -4.581
  161   HD12  ILE  26          1HD1      ILE  26   5.514  -2.048  -4.867
  162   HD13  ILE  26          2HD1      ILE  26   7.088  -2.659  -5.377
  163    HA   PRO  27           HA       PRO  27   4.609  -5.523  -5.989
  164    HB2  PRO  27           2HB      PRO  27   2.780  -6.969  -7.353
  165    HB3  PRO  27           3HB      PRO  27   4.363  -7.618  -6.891
  166    HG2  PRO  27           2HG      PRO  27   1.710  -8.048  -5.608
  167    HG3  PRO  27           3HG      PRO  27   3.008  -9.216  -5.929
  168    HD2  PRO  27           2HD      PRO  27   2.598  -8.089  -3.486
  169    HD3  PRO  27           3HD      PRO  27   4.193  -8.615  -4.060
  170    H    GLY  28           H        GLY  28   1.472  -5.969  -4.442
  171    HA2  GLY  28           2HA      GLY  28  -0.029  -4.167  -4.057
  172    HA3  GLY  28           3HA      GLY  28   0.615  -3.358  -5.476
  173    H    ASN  29           H        ASN  29   0.373  -5.980  -7.008
  174    HA   ASN  29           HA       ASN  29  -2.540  -5.822  -7.467
  175    HB2  ASN  29           2HB      ASN  29  -0.281  -6.352  -9.409
  176    HB3  ASN  29           3HB      ASN  29  -1.975  -6.615  -9.809
  177   HD21  ASN  29          1HD2      ASN  29  -3.342  -4.846 -10.040
  178   HD22  ASN  29          2HD2      ASN  29  -2.738  -3.243 -10.254
  179    HA   PRO  30           HA       PRO  30  -4.406  -6.853  -7.249
  180    HB2  PRO  30           2HB      PRO  30  -5.693  -8.182  -5.249
  181    HB3  PRO  30           3HB      PRO  30  -5.758  -8.694  -6.945
  182    HG2  PRO  30           2HG      PRO  30  -4.093  -9.762  -4.719
  183    HG3  PRO  30           3HG      PRO  30  -4.961 -10.633  -5.997
  184    HD2  PRO  30           2HD      PRO  30  -2.296 -10.190  -6.099
  185    HD3  PRO  30           3HD      PRO  30  -3.309 -10.278  -7.552
  186    H    ASP  31           H        ASP  31  -2.300  -7.877  -4.643
  187    HA   ASP  31           HA       ASP  31  -2.401  -5.246  -3.446
  188    HB2  ASP  31           2HB      ASP  31  -2.783  -6.171  -1.126
  189    HB3  ASP  31           3HB      ASP  31  -4.197  -6.183  -2.169
  190    H    GLY  32           H        GLY  32  -0.651  -4.799  -2.059
  191    HA2  GLY  32           2HA      GLY  32   1.445  -6.852  -1.877
  192    HA3  GLY  32           3HA      GLY  32   1.826  -5.310  -2.628
  193    H    THR  33           H        THR  33   3.481  -5.398  -0.850
  194    HA   THR  33           HA       THR  33   2.420  -4.621   1.762
  195    HB   THR  33           HB       THR  33   5.039  -4.674   2.235
  196    HG1  THR  33           HG1      THR  33   5.030  -5.470  -0.215
  197   HG21  THR  33          3HG2      THR  33   3.368  -6.013   3.395
  198   HG22  THR  33          1HG2      THR  33   4.774  -6.996   2.982
  199   HG23  THR  33          2HG2      THR  33   3.295  -7.126   2.028
  200    H    CYS  34           H        CYS  34   2.620  -2.674   2.618
  201    HA   CYS  34           HA       CYS  34   3.426  -0.493   0.914
  202    HB2  CYS  34           2HB      CYS  34   2.234  -0.628   3.682
  203    HB3  CYS  34           3HB      CYS  34   2.694   0.894   2.925
  204    H    TYR  35           H        TYR  35   5.477  -0.091   0.682
  205    HA   TYR  35           HA       TYR  35   7.260  -0.092   3.026
  206    HB2  TYR  35           2HB      TYR  35   7.781  -0.652   0.113
  207    HB3  TYR  35           3HB      TYR  35   9.087  -0.190   1.199
  208    HD1  TYR  35           HD1      TYR  35   9.409  -1.626   3.315
  209    HD2  TYR  35           HD2      TYR  35   7.132  -2.893  -0.054
  210    HE1  TYR  35           HE1      TYR  35   9.639  -3.954   4.044
  211    HE2  TYR  35           HE2      TYR  35   7.353  -5.227   0.673
  212    HH   TYR  35           HH       TYR  35   8.863  -6.594   2.057
  213    H    TYR  36           H        TYR  36   8.686   1.626   3.334
  214    HA   TYR  36           HA       TYR  36   7.705   4.173   2.392
  215    HB2  TYR  36           2HB      TYR  36   9.493   3.235   4.513
  216    HB3  TYR  36           3HB      TYR  36  10.033   4.729   3.757
  217    HD1  TYR  36           HD2      TYR  36   8.274   6.635   3.571
  218    HD2  TYR  36           HD1      TYR  36   7.870   3.300   6.184
  219    HE1  TYR  36           HE2      TYR  36   6.680   7.907   4.938
  220    HE2  TYR  36           HE1      TYR  36   6.270   4.565   7.558
  221    HH   TYR  36           HH       TYR  36   4.849   7.463   6.528
  222    H    LEU  37           H        LEU  37   8.455   5.383   0.802
  223    HA   LEU  37           HA       LEU  37  10.574   4.393  -0.881
  224    HB2  LEU  37           2HB      LEU  37   8.755   6.788  -1.120
  225    HB3  LEU  37           3HB      LEU  37   9.970   6.375  -2.312
  226    HG   LEU  37           HG       LEU  37   7.915   4.327  -1.591
  227   HD11  LEU  37          1HD1      LEU  37   6.605   6.338  -1.946
  228   HD12  LEU  37          2HD1      LEU  37   6.415   5.234  -3.307
  229   HD13  LEU  37          3HD1      LEU  37   7.456   6.650  -3.458
  230   HD21  LEU  37          3HD2      LEU  37   9.757   3.721  -3.078
  231   HD22  LEU  37          1HD2      LEU  37   9.333   5.048  -4.158
  232   HD23  LEU  37          2HD2      LEU  37   8.218   3.700  -3.939
  Start of MODEL    3
    1    H1   PCA   1           H1       PCA   1 -10.336   7.131   3.855
    2    HA   PCA   1           HA       PCA   1 -10.443   4.756   3.762
    3    HB2  PCA   1           3HB      PCA   1 -12.623   4.560   2.776
    4    HB3  PCA   1           2HB      PCA   1 -11.700   4.205   1.263
    5    HG2  PCA   1           3HG      PCA   1 -13.729   5.888   2.653
    6    HG3  PCA   1           2HG      PCA   1 -13.037   6.284   1.058
    7    H    GLY   2           H        GLY   2  -8.788   3.524   3.005
    8    HA2  GLY   2           2HA      GLY   2  -7.399   2.645   1.267
    9    HA3  GLY   2           3HA      GLY   2  -7.570   4.166   0.404
   10    H    CYS   3           H        CYS   3  -6.537   3.201   3.674
   11    HA   CYS   3           HA       CYS   3  -3.953   4.516   3.216
   12    HB2  CYS   3           2HB      CYS   3  -5.793   5.882   4.573
   13    HB3  CYS   3           3HB      CYS   3  -5.236   4.862   5.893
   14    H    ALA   4           H        ALA   4  -2.496   2.973   3.453
   15    HA   ALA   4           HA       ALA   4  -2.837   1.004   5.619
   16    HB1  ALA   4           3HB      ALA   4  -2.848   0.288   3.097
   17    HB2  ALA   4           1HB      ALA   4  -1.998  -0.681   4.304
   18    HB3  ALA   4           2HB      ALA   4  -1.097   0.425   3.271
   19    H    PHE   5           H        PHE   5  -1.010   0.418   6.831
   20    HA   PHE   5           HA       PHE   5   1.071   2.466   6.946
   21    HB2  PHE   5           2HB      PHE   5   0.253   0.261   8.847
   22    HB3  PHE   5           3HB      PHE   5   1.666   1.277   9.112
   23    HD1  PHE   5           HD1      PHE   5  -1.985   1.146   9.079
   24    HD2  PHE   5           HD2      PHE   5   1.429   3.605   9.728
   25    HE1  PHE   5           HE1      PHE   5  -3.408   2.827  10.176
   26    HE2  PHE   5           HE2      PHE   5   0.011   5.289  10.827
   27    HZ   PHE   5           HZ       PHE   5  -2.411   4.901  11.051
   28    H    GLU   6           H        GLU   6   3.340   1.584   7.622
   29    HA   GLU   6           HA       GLU   6   4.373   0.061   5.473
   30    HB2  GLU   6           2HB      GLU   6   5.580   1.806   6.899
   31    HB3  GLU   6           3HB      GLU   6   5.810   0.531   8.084
   32    HG2  GLU   6           2HG      GLU   6   6.955  -0.791   6.275
   33    HG3  GLU   6           3HG      GLU   6   6.894   0.663   5.281
   34    H    GLY   7           H        GLY   7   4.938  -2.015   5.264
   35    HA2  GLY   7           2HA      GLY   7   5.321  -4.246   5.832
   36    HA3  GLY   7           3HA      GLY   7   4.956  -3.858   7.505
   37    H    GLU   8           H        GLU   8   2.456  -2.553   5.925
   38    HA   GLU   8           HA       GLU   8   0.734  -4.864   6.407
   39    HB2  GLU   8           2HB      GLU   8   0.360  -2.403   7.242
   40    HB3  GLU   8           3HB      GLU   8  -0.268  -2.145   5.621
   41    HG2  GLU   8           2HG      GLU   8  -1.942  -3.866   5.968
   42    HG3  GLU   8           3HG      GLU   8  -1.290  -4.199   7.573
   43    H    SER   9           H        SER   9  -0.931  -5.450   4.874
   44    HA   SER   9           HA       SER   9   0.018  -5.250   2.115
   45    HB2  SER   9           2HB      SER   9  -2.022  -7.111   3.362
   46    HB3  SER   9           3HB      SER   9  -1.487  -7.166   1.681
   47    HG   SER   9           HG       SER   9   0.132  -7.552   3.983
   48    H    CYS  10           H        CYS  10  -0.845  -3.781   0.839
   49    HA   CYS  10           HA       CYS  10  -3.680  -3.061   1.197
   50    HB2  CYS  10           2HB      CYS  10  -3.244  -0.820   0.812
   51    HB3  CYS  10           3HB      CYS  10  -1.803  -1.303   1.694
   52    H    ASN  11           H        ASN  11  -4.865  -2.532  -0.711
   53    HA   ASN  11           HA       ASN  11  -3.926  -3.974  -3.081
   54    HB2  ASN  11           2HB      ASN  11  -6.725  -3.012  -2.491
   55    HB3  ASN  11           3HB      ASN  11  -6.236  -4.117  -3.767
   56   HD21  ASN  11          1HD2      ASN  11  -6.457  -3.733  -0.283
   57   HD22  ASN  11          2HD2      ASN  11  -6.618  -5.416   0.081
   58    H    VAL  12           H        VAL  12  -3.720  -2.984  -5.045
   59    HA   VAL  12           HA       VAL  12  -3.754  -0.068  -4.969
   60    HB   VAL  12           HB       VAL  12  -2.478  -0.112  -7.061
   61   HG11  VAL  12          1HG1      VAL  12  -1.237  -0.158  -4.993
   62   HG12  VAL  12          2HG1      VAL  12  -0.416  -1.164  -6.191
   63   HG13  VAL  12          3HG1      VAL  12  -1.372  -1.916  -4.912
   64   HG21  VAL  12          3HG2      VAL  12  -2.372  -3.114  -6.874
   65   HG22  VAL  12          1HG2      VAL  12  -1.804  -2.078  -8.184
   66   HG23  VAL  12          2HG2      VAL  12  -3.536  -2.269  -7.894
   67    H    GLU  13           H        GLU  13  -6.179  -1.839  -5.233
   68    HA   GLU  13           HA       GLU  13  -7.222  -0.855  -7.806
   69    HB2  GLU  13           2HB      GLU  13  -8.108  -3.203  -6.123
   70    HB3  GLU  13           3HB      GLU  13  -8.874  -2.695  -7.618
   71    HG2  GLU  13           2HG      GLU  13  -5.973  -3.455  -7.549
   72    HG3  GLU  13           3HG      GLU  13  -7.238  -4.680  -7.649
   73    H    PHE  14           H        PHE  14  -7.737  -0.973  -4.338
   74    HA   PHE  14           HA       PHE  14  -9.817   1.054  -4.543
   75    HB2  PHE  14           2HB      PHE  14 -11.225  -0.329  -2.842
   76    HB3  PHE  14           3HB      PHE  14 -11.295  -0.754  -4.547
   77    HD1  PHE  14           HD2      PHE  14 -10.235  -2.773  -5.380
   78    HD2  PHE  14           HD1      PHE  14 -10.204  -1.804  -1.242
   79    HE1  PHE  14           HE2      PHE  14  -9.506  -5.061  -4.856
   80    HE2  PHE  14           HE1      PHE  14  -9.466  -4.088  -0.708
   81    HZ   PHE  14           HZ       PHE  14  -9.106  -5.705  -2.521
   82    H    TYR  15           H        TYR  15  -7.919  -0.994  -2.324
   83    HA   TYR  15           HA       TYR  15  -7.822   1.266  -0.432
   84    HB2  TYR  15           2HB      TYR  15  -8.952  -0.941   0.290
   85    HB3  TYR  15           3HB      TYR  15  -7.326  -1.598   0.345
   86    HD1  TYR  15           HD2      TYR  15  -5.669  -0.650   1.997
   87    HD2  TYR  15           HD1      TYR  15  -9.781   0.464   2.016
   88    HE1  TYR  15           HE2      TYR  15  -5.418   0.218   4.280
   89    HE2  TYR  15           HE1      TYR  15  -9.535   1.337   4.301
   90    HH   TYR  15           HH       TYR  15  -8.063   1.026   6.244
   91    HA   PRO  16           HA       PRO  16  -3.440   0.584  -1.973
   92    HB2  PRO  16           2HB      PRO  16  -2.869   3.199  -2.472
   93    HB3  PRO  16           3HB      PRO  16  -3.702   2.168  -3.652
   94    HG2  PRO  16           2HG      PRO  16  -4.850   4.176  -1.766
   95    HG3  PRO  16           3HG      PRO  16  -5.237   3.884  -3.474
   96    HD2  PRO  16           2HD      PRO  16  -6.766   2.934  -1.448
   97    HD3  PRO  16           3HD      PRO  16  -6.595   2.099  -3.001
   98    H    CYS  17           H        CYS  17  -1.425   2.155  -1.250
   99    HA   CYS  17           HA       CYS  17  -1.277   1.910   1.580
  100    HB2  CYS  17           2HB      CYS  17   0.578   3.177  -0.445
  101    HB3  CYS  17           3HB      CYS  17   0.955   3.057   1.266
  102    H    CYS  18           H        CYS  18  -0.089   4.019   2.705
  103    HA   CYS  18           HA       CYS  18  -2.177   6.015   2.790
  104    HB2  CYS  18           2HB      CYS  18   0.205   5.379   4.489
  105    HB3  CYS  18           3HB      CYS  18  -0.564   6.957   4.627
  106    HA   PRO  19           HA       PRO  19   0.195   8.678   0.024
  107    HB2  PRO  19           2HB      PRO  19  -1.708  10.570  -0.344
  108    HB3  PRO  19           3HB      PRO  19  -1.781   8.983  -1.129
  109    HG2  PRO  19           2HG      PRO  19  -3.293   9.996   1.212
  110    HG3  PRO  19           3HG      PRO  19  -3.809   8.898  -0.081
  111    HD2  PRO  19           2HD      PRO  19  -3.031   8.106   2.459
  112    HD3  PRO  19           3HD      PRO  19  -3.066   7.060   1.028
  113    H    GLY  20           H        GLY  20   1.136  10.778   0.056
  114    HA2  GLY  20           2HA      GLY  20   1.654  12.875   1.001
  115    HA3  GLY  20           3HA      GLY  20   0.732  12.436   2.430
  116    H    LEU  21           H        LEU  21   2.059   9.844   2.733
  117    HA   LEU  21           HA       LEU  21   4.396  10.750   4.175
  118    HB2  LEU  21           2HB      LEU  21   3.371   7.926   3.913
  119    HB3  LEU  21           3HB      LEU  21   4.445   8.547   5.141
  120    HG   LEU  21           HG       LEU  21   1.581   9.461   4.864
  121   HD11  LEU  21          1HD1      LEU  21   1.006   7.902   6.622
  122   HD12  LEU  21          2HD1      LEU  21   2.663   7.300   6.664
  123   HD13  LEU  21          3HD1      LEU  21   1.665   7.036   5.236
  124   HD21  LEU  21          3HD2      LEU  21   3.553   9.617   7.150
  125   HD22  LEU  21          1HD2      LEU  21   1.874  10.155   7.201
  126   HD23  LEU  21          2HD2      LEU  21   3.026  10.961   6.136
  127    H    GLY  22           H        GLY  22   3.828   8.084   1.841
  128    HA2  GLY  22           2HA      GLY  22   5.355   8.293  -0.195
  129    HA3  GLY  22           3HA      GLY  22   6.642   8.336   0.998
  130    H    LEU  23           H        LEU  23   3.757   6.285   1.155
  131    HA   LEU  23           HA       LEU  23   5.478   3.935   1.297
  132    HB2  LEU  23           2HB      LEU  23   2.565   4.436   1.869
  133    HB3  LEU  23           3HB      LEU  23   3.157   2.805   1.675
  134    HG   LEU  23           HG       LEU  23   2.925   3.395   4.028
  135   HD11  LEU  23          1HD1      LEU  23   5.864   3.213   3.466
  136   HD12  LEU  23          2HD1      LEU  23   4.760   1.861   3.225
  137   HD13  LEU  23          3HD1      LEU  23   4.959   2.562   4.830
  138   HD21  LEU  23          3HD2      LEU  23   3.227   5.716   4.110
  139   HD22  LEU  23          1HD2      LEU  23   4.825   5.620   3.369
  140   HD23  LEU  23          2HD2      LEU  23   4.576   5.030   5.012
  141    H    THR  24           H        THR  24   5.072   2.028   0.080
  142    HA   THR  24           HA       THR  24   3.517   2.277  -2.379
  143    HB   THR  24           HB       THR  24   5.719   3.010  -3.097
  144    HG1  THR  24           HG1      THR  24   4.678   1.725  -4.603
  145   HG21  THR  24          3HG2      THR  24   7.677   1.435  -2.996
  146   HG22  THR  24          1HG2      THR  24   6.748   0.446  -1.868
  147   HG23  THR  24          2HG2      THR  24   7.190   2.098  -1.436
  148    H    CYS  25           H        CYS  25   2.422   0.448  -2.824
  149    HA   CYS  25           HA       CYS  25   2.824  -1.866  -1.120
  150    HB2  CYS  25           2HB      CYS  25   0.634  -0.730  -2.600
  151    HB3  CYS  25           3HB      CYS  25   0.829  -2.423  -3.031
  152    H    ILE  26           H        ILE  26   3.967  -3.592  -1.636
  153    HA   ILE  26           HA       ILE  26   4.552  -4.120  -4.473
  154    HB   ILE  26           HB       ILE  26   6.450  -4.602  -2.166
  155   HG12  ILE  26          2HG1      ILE  26   6.182  -2.189  -2.541
  156   HG13  ILE  26          3HG1      ILE  26   7.787  -2.721  -3.003
  157   HG21  ILE  26          1HG2      ILE  26   8.117  -5.180  -3.768
  158   HG22  ILE  26          2HG2      ILE  26   7.065  -4.734  -5.112
  159   HG23  ILE  26          3HG2      ILE  26   6.677  -6.140  -4.119
  160   HD11  ILE  26          3HD1      ILE  26   5.511  -2.046  -4.866
  161   HD12  ILE  26          1HD1      ILE  26   7.086  -2.656  -5.377
  162   HD13  ILE  26          2HD1      ILE  26   6.963  -1.088  -4.579
  163    HA   PRO  27           HA       PRO  27   4.607  -5.521  -5.989
  164    HB2  PRO  27           2HB      PRO  27   2.778  -6.967  -7.354
  165    HB3  PRO  27           3HB      PRO  27   4.361  -7.616  -6.891
  166    HG2  PRO  27           2HG      PRO  27   1.707  -8.047  -5.609
  167    HG3  PRO  27           3HG      PRO  27   3.006  -9.215  -5.930
  168    HD2  PRO  27           2HD      PRO  27   2.597  -8.088  -3.488
  169    HD3  PRO  27           3HD      PRO  27   4.191  -8.614  -4.061
  170    H    GLY  28           H        GLY  28   1.470  -5.967  -4.441
  171    HA2  GLY  28           2HA      GLY  28  -0.032  -4.167  -4.055
  172    HA3  GLY  28           3HA      GLY  28   0.612  -3.355  -5.474
  173    H    ASN  29           H        ASN  29   0.370  -5.978  -7.008
  174    HA   ASN  29           HA       ASN  29  -2.542  -5.820  -7.467
  175    HB2  ASN  29           2HB      ASN  29  -0.283  -6.349  -9.408
  176    HB3  ASN  29           3HB      ASN  29  -1.976  -6.612  -9.810
  177   HD21  ASN  29          1HD2      ASN  29  -3.345  -4.846 -10.041
  178   HD22  ASN  29          2HD2      ASN  29  -2.741  -3.241 -10.252
  179    HA   PRO  30           HA       PRO  30  -4.407  -6.852  -7.250
  180    HB2  PRO  30           2HB      PRO  30  -5.696  -8.182  -5.251
  181    HB3  PRO  30           3HB      PRO  30  -5.759  -8.692  -6.948
  182    HG2  PRO  30           2HG      PRO  30  -4.095  -9.761  -4.720
  183    HG3  PRO  30           3HG      PRO  30  -4.964 -10.632  -6.000
  184    HD2  PRO  30           2HD      PRO  30  -2.298 -10.189  -6.101
  185    HD3  PRO  30           3HD      PRO  30  -3.310 -10.276  -7.555
  186    H    ASP  31           H        ASP  31  -2.303  -7.877  -4.644
  187    HA   ASP  31           HA       ASP  31  -2.403  -5.247  -3.445
  188    HB2  ASP  31           2HB      ASP  31  -2.786  -6.172  -1.126
  189    HB3  ASP  31           3HB      ASP  31  -4.200  -6.184  -2.169
  190    H    GLY  32           H        GLY  32  -0.654  -4.800  -2.058
  191    HA2  GLY  32           2HA      GLY  32   1.442  -6.854  -1.877
  192    HA3  GLY  32           3HA      GLY  32   1.823  -5.312  -2.628
  193    H    THR  33           H        THR  33   3.478  -5.397  -0.850
  194    HA   THR  33           HA       THR  33   2.418  -4.621   1.763
  195    HB   THR  33           HB       THR  33   5.039  -4.674   2.232
  196    HG1  THR  33           HG1      THR  33   5.207  -5.338  -0.154
  197   HG21  THR  33          3HG2      THR  33   4.773  -6.995   2.983
  198   HG22  THR  33          1HG2      THR  33   3.293  -7.126   2.031
  199   HG23  THR  33          2HG2      THR  33   3.369  -6.011   3.396
  200    H    CYS  34           H        CYS  34   2.617  -2.674   2.616
  201    HA   CYS  34           HA       CYS  34   3.425  -0.494   0.914
  202    HB2  CYS  34           2HB      CYS  34   2.232  -0.627   3.683
  203    HB3  CYS  34           3HB      CYS  34   2.691   0.894   2.924
  204    H    TYR  35           H        TYR  35   5.474  -0.091   0.682
  205    HA   TYR  35           HA       TYR  35   7.257  -0.093   3.026
  206    HB2  TYR  35           2HB      TYR  35   7.778  -0.650   0.112
  207    HB3  TYR  35           3HB      TYR  35   9.084  -0.190   1.199
  208    HD1  TYR  35           HD2      TYR  35   9.403  -1.628   3.316
  209    HD2  TYR  35           HD1      TYR  35   7.128  -2.891  -0.057
  210    HE1  TYR  35           HE2      TYR  35   9.631  -3.956   4.043
  211    HE2  TYR  35           HE1      TYR  35   7.349  -5.227   0.670
  212    HH   TYR  35           HH       TYR  35   8.464  -6.105   3.750
  213    H    TYR  36           H        TYR  36   8.686   1.625   3.333
  214    HA   TYR  36           HA       TYR  36   7.703   4.171   2.391
  215    HB2  TYR  36           2HB      TYR  36   9.493   3.233   4.512
  216    HB3  TYR  36           3HB      TYR  36  10.033   4.729   3.756
  217    HD1  TYR  36           HD1      TYR  36   8.273   6.634   3.572
  218    HD2  TYR  36           HD2      TYR  36   7.871   3.298   6.184
  219    HE1  TYR  36           HE1      TYR  36   6.680   7.905   4.941
  220    HE2  TYR  36           HE2      TYR  36   6.272   4.562   7.558
  221    HH   TYR  36           HH       TYR  36   4.852   7.462   6.531
  222    H    LEU  37           H        LEU  37   8.454   5.382   0.800
  223    HA   LEU  37           HA       LEU  37  10.571   4.391  -0.883
  224    HB2  LEU  37           2HB      LEU  37   8.755   6.786  -1.121
  225    HB3  LEU  37           3HB      LEU  37   9.969   6.373  -2.314
  226    HG   LEU  37           HG       LEU  37   7.913   4.325  -1.594
  227   HD11  LEU  37          1HD1      LEU  37   6.603   6.337  -1.945
  228   HD12  LEU  37          2HD1      LEU  37   6.414   5.235  -3.309
  229   HD13  LEU  37          3HD1      LEU  37   7.454   6.650  -3.457
  230   HD21  LEU  37          3HD2      LEU  37   9.754   3.719  -3.081
  231   HD22  LEU  37          1HD2      LEU  37   9.329   5.048  -4.160
  232   HD23  LEU  37          2HD2      LEU  37   8.214   3.700  -3.941
  Start of MODEL    4
    1    H1   PCA   1           H1       PCA   1  -9.967   7.377   3.143
    2    HA   PCA   1           HA       PCA   1 -10.438   4.831   3.773
    3    HB2  PCA   1           3HB      PCA   1 -12.613   4.682   2.769
    4    HB3  PCA   1           2HB      PCA   1 -11.685   4.299   1.266
    5    HG2  PCA   1           3HG      PCA   1 -13.689   6.033   2.631
    6    HG3  PCA   1           2HG      PCA   1 -12.973   6.406   1.041
    7    H    GLY   2           H        GLY   2  -8.839   3.524   2.996
    8    HA2  GLY   2           2HA      GLY   2  -7.433   2.620   1.305
    9    HA3  GLY   2           3HA      GLY   2  -7.588   4.122   0.408
   10    H    CYS   3           H        CYS   3  -6.551   3.196   3.688
   11    HA   CYS   3           HA       CYS   3  -3.969   4.507   3.207
   12    HB2  CYS   3           2HB      CYS   3  -5.800   5.871   4.575
   13    HB3  CYS   3           3HB      CYS   3  -5.236   4.851   5.893
   14    H    ALA   4           H        ALA   4  -2.495   2.980   3.449
   15    HA   ALA   4           HA       ALA   4  -2.814   1.017   5.625
   16    HB1  ALA   4           3HB      ALA   4  -2.010  -0.682   4.308
   17    HB2  ALA   4           1HB      ALA   4  -1.110   0.411   3.257
   18    HB3  ALA   4           2HB      ALA   4  -2.862   0.286   3.105
   19    H    PHE   5           H        PHE   5  -0.994   0.486   6.850
   20    HA   PHE   5           HA       PHE   5   1.107   2.513   6.873
   21    HB2  PHE   5           2HB      PHE   5   0.249   0.399   8.851
   22    HB3  PHE   5           3HB      PHE   5   1.718   1.344   9.067
   23    HD1  PHE   5           HD1      PHE   5  -1.937   1.415   9.081
   24    HD2  PHE   5           HD2      PHE   5   1.617   3.695   9.617
   25    HE1  PHE   5           HE1      PHE   5  -3.250   3.205  10.143
   26    HE2  PHE   5           HE2      PHE   5   0.310   5.489  10.679
   27    HZ   PHE   5           HZ       PHE   5  -2.127   5.245  10.944
   28    H    GLU   6           H        GLU   6   3.370   1.598   7.600
   29    HA   GLU   6           HA       GLU   6   4.389   0.046   5.466
   30    HB2  GLU   6           2HB      GLU   6   5.608   1.786   6.900
   31    HB3  GLU   6           3HB      GLU   6   5.832   0.500   8.073
   32    HG2  GLU   6           2HG      GLU   6   6.966  -0.818   6.264
   33    HG3  GLU   6           3HG      GLU   6   6.896   0.630   5.261
   34    H    GLY   7           H        GLY   7   4.947  -2.035   5.275
   35    HA2  GLY   7           2HA      GLY   7   5.307  -4.265   5.863
   36    HA3  GLY   7           3HA      GLY   7   4.931  -3.861   7.530
   37    H    GLU   8           H        GLU   8   2.447  -2.550   5.936
   38    HA   GLU   8           HA       GLU   8   0.713  -4.851   6.412
   39    HB2  GLU   8           2HB      GLU   8   0.349  -2.383   7.236
   40    HB3  GLU   8           3HB      GLU   8  -0.275  -2.132   5.613
   41    HG2  GLU   8           2HG      GLU   8  -1.952  -3.852   5.969
   42    HG3  GLU   8           3HG      GLU   8  -1.307  -4.167   7.579
   43    H    SER   9           H        SER   9  -0.938  -5.445   4.874
   44    HA   SER   9           HA       SER   9   0.019  -5.244   2.118
   45    HB2  SER   9           2HB      SER   9  -2.016  -7.112   3.359
   46    HB3  SER   9           3HB      SER   9  -1.479  -7.165   1.680
   47    HG   SER   9           HG       SER   9   0.698  -7.426   2.612
   48    H    CYS  10           H        CYS  10  -0.845  -3.774   0.843
   49    HA   CYS  10           HA       CYS  10  -3.682  -3.061   1.197
   50    HB2  CYS  10           2HB      CYS  10  -3.248  -0.818   0.812
   51    HB3  CYS  10           3HB      CYS  10  -1.807  -1.301   1.694
   52    H    ASN  11           H        ASN  11  -4.865  -2.528  -0.714
   53    HA   ASN  11           HA       ASN  11  -3.923  -3.971  -3.083
   54    HB2  ASN  11           2HB      ASN  11  -6.722  -3.015  -2.490
   55    HB3  ASN  11           3HB      ASN  11  -6.234  -4.113  -3.771
   56   HD21  ASN  11          1HD2      ASN  11  -6.444  -3.745  -0.284
   57   HD22  ASN  11          2HD2      ASN  11  -6.606  -5.429   0.072
   58    H    VAL  12           H        VAL  12  -3.717  -2.979  -5.046
   59    HA   VAL  12           HA       VAL  12  -3.757  -0.063  -4.971
   60    HB   VAL  12           HB       VAL  12  -2.482  -0.106  -7.064
   61   HG11  VAL  12          1HG1      VAL  12  -1.379  -1.902  -4.910
   62   HG12  VAL  12          2HG1      VAL  12  -1.230  -0.147  -5.010
   63   HG13  VAL  12          3HG1      VAL  12  -0.420  -1.170  -6.198
   64   HG21  VAL  12          3HG2      VAL  12  -2.372  -3.107  -6.882
   65   HG22  VAL  12          1HG2      VAL  12  -1.812  -2.067  -8.193
   66   HG23  VAL  12          2HG2      VAL  12  -3.543  -2.263  -7.896
   67    H    GLU  13           H        GLU  13  -6.179  -1.840  -5.231
   68    HA   GLU  13           HA       GLU  13  -7.228  -0.859  -7.802
   69    HB2  GLU  13           2HB      GLU  13  -8.108  -3.206  -6.113
   70    HB3  GLU  13           3HB      GLU  13  -8.878  -2.702  -7.608
   71    HG2  GLU  13           2HG      GLU  13  -5.976  -3.460  -7.542
   72    HG3  GLU  13           3HG      GLU  13  -7.241  -4.685  -7.637
   73    H    PHE  14           H        PHE  14  -7.732  -0.970  -4.332
   74    HA   PHE  14           HA       PHE  14  -9.814   1.056  -4.535
   75    HB2  PHE  14           2HB      PHE  14 -11.221  -0.323  -2.831
   76    HB3  PHE  14           3HB      PHE  14 -11.292  -0.751  -4.535
   77    HD1  PHE  14           HD2      PHE  14 -10.232  -2.771  -5.367
   78    HD2  PHE  14           HD1      PHE  14 -10.201  -1.797  -1.230
   79    HE1  PHE  14           HE2      PHE  14  -9.502  -5.058  -4.841
   80    HE2  PHE  14           HE1      PHE  14  -9.463  -4.080  -0.693
   81    HZ   PHE  14           HZ       PHE  14  -9.102  -5.700  -2.505
   82    H    TYR  15           H        TYR  15  -7.918  -0.993  -2.313
   83    HA   TYR  15           HA       TYR  15  -7.813   1.273  -0.429
   84    HB2  TYR  15           2HB      TYR  15  -8.948  -0.932   0.297
   85    HB3  TYR  15           3HB      TYR  15  -7.321  -1.589   0.361
   86    HD1  TYR  15           HD2      TYR  15  -5.673  -0.644   2.019
   87    HD2  TYR  15           HD1      TYR  15  -9.779   0.495   2.008
   88    HE1  TYR  15           HE2      TYR  15  -5.430   0.238   4.297
   89    HE2  TYR  15           HE1      TYR  15  -9.540   1.381   4.288
   90    HH   TYR  15           HH       TYR  15  -6.529   1.875   5.767
   91    HA   PRO  16           HA       PRO  16  -3.435   0.577  -1.972
   92    HB2  PRO  16           2HB      PRO  16  -2.857   3.190  -2.474
   93    HB3  PRO  16           3HB      PRO  16  -3.691   2.158  -3.652
   94    HG2  PRO  16           2HG      PRO  16  -4.836   4.173  -1.774
   95    HG3  PRO  16           3HG      PRO  16  -5.225   3.875  -3.480
   96    HD2  PRO  16           2HD      PRO  16  -6.754   2.936  -1.449
   97    HD3  PRO  16           3HD      PRO  16  -6.587   2.095  -3.000
   98    H    CYS  17           H        CYS  17  -1.417   2.147  -1.251
   99    HA   CYS  17           HA       CYS  17  -1.268   1.905   1.579
  100    HB2  CYS  17           2HB      CYS  17   0.586   3.160  -0.452
  101    HB3  CYS  17           3HB      CYS  17   0.964   3.054   1.260
  102    H    CYS  18           H        CYS  18  -0.089   4.006   2.711
  103    HA   CYS  18           HA       CYS  18  -2.175   6.004   2.789
  104    HB2  CYS  18           2HB      CYS  18   0.202   5.370   4.494
  105    HB3  CYS  18           3HB      CYS  18  -0.567   6.949   4.628
  106    HA   PRO  19           HA       PRO  19   0.201   8.665   0.024
  107    HB2  PRO  19           2HB      PRO  19  -1.705  10.553  -0.351
  108    HB3  PRO  19           3HB      PRO  19  -1.773   8.966  -1.135
  109    HG2  PRO  19           2HG      PRO  19  -3.294   9.979   1.201
  110    HG3  PRO  19           3HG      PRO  19  -3.803   8.878  -0.092
  111    HD2  PRO  19           2HD      PRO  19  -3.031   8.091   2.451
  112    HD3  PRO  19           3HD      PRO  19  -3.060   7.043   1.021
  113    H    GLY  20           H        GLY  20   1.133  10.770   0.053
  114    HA2  GLY  20           2HA      GLY  20   1.646  12.868   0.997
  115    HA3  GLY  20           3HA      GLY  20   0.723  12.429   2.425
  116    H    LEU  21           H        LEU  21   2.055   9.839   2.730
  117    HA   LEU  21           HA       LEU  21   4.389  10.749   4.172
  118    HB2  LEU  21           2HB      LEU  21   3.369   7.925   3.918
  119    HB3  LEU  21           3HB      LEU  21   4.438   8.552   5.147
  120    HG   LEU  21           HG       LEU  21   1.574   9.463   4.859
  121   HD11  LEU  21          1HD1      LEU  21   1.662   7.037   5.235
  122   HD12  LEU  21          2HD1      LEU  21   0.991   7.907   6.613
  123   HD13  LEU  21          3HD1      LEU  21   2.649   7.307   6.671
  124   HD21  LEU  21          3HD2      LEU  21   1.860  10.162   7.196
  125   HD22  LEU  21          1HD2      LEU  21   3.016  10.964   6.133
  126   HD23  LEU  21          2HD2      LEU  21   3.538   9.622   7.151
  127    H    GLY  22           H        GLY  22   3.825   8.080   1.843
  128    HA2  GLY  22           2HA      GLY  22   5.354   8.290  -0.193
  129    HA3  GLY  22           3HA      GLY  22   6.639   8.331   1.002
  130    H    LEU  23           H        LEU  23   3.755   6.282   1.167
  131    HA   LEU  23           HA       LEU  23   5.477   3.930   1.301
  132    HB2  LEU  23           2HB      LEU  23   2.564   4.429   1.881
  133    HB3  LEU  23           3HB      LEU  23   3.160   2.798   1.689
  134    HG   LEU  23           HG       LEU  23   2.932   3.393   4.040
  135   HD11  LEU  23          1HD1      LEU  23   4.973   2.570   4.841
  136   HD12  LEU  23          2HD1      LEU  23   5.869   3.214   3.468
  137   HD13  LEU  23          3HD1      LEU  23   4.767   1.858   3.241
  138   HD21  LEU  23          3HD2      LEU  23   4.824   5.621   3.375
  139   HD22  LEU  23          1HD2      LEU  23   4.581   5.032   5.020
  140   HD23  LEU  23          2HD2      LEU  23   3.229   5.713   4.118
  141    H    THR  24           H        THR  24   5.077   2.030   0.083
  142    HA   THR  24           HA       THR  24   3.512   2.278  -2.372
  143    HB   THR  24           HB       THR  24   5.716   3.008  -3.091
  144    HG1  THR  24           HG1      THR  24   6.125   0.764  -4.345
  145   HG21  THR  24          3HG2      THR  24   6.741   0.440  -1.869
  146   HG22  THR  24          1HG2      THR  24   7.185   2.090  -1.429
  147   HG23  THR  24          2HG2      THR  24   7.673   1.433  -2.991
  148    H    CYS  25           H        CYS  25   2.423   0.446  -2.824
  149    HA   CYS  25           HA       CYS  25   2.821  -1.865  -1.116
  150    HB2  CYS  25           2HB      CYS  25   0.633  -0.730  -2.597
  151    HB3  CYS  25           3HB      CYS  25   0.828  -2.424  -3.027
  152    H    ILE  26           H        ILE  26   3.966  -3.591  -1.632
  153    HA   ILE  26           HA       ILE  26   4.553  -4.116  -4.471
  154    HB   ILE  26           HB       ILE  26   6.449  -4.608  -2.163
  155   HG12  ILE  26          2HG1      ILE  26   6.187  -2.193  -2.526
  156   HG13  ILE  26          3HG1      ILE  26   7.790  -2.726  -2.992
  157   HG21  ILE  26          1HG2      ILE  26   6.701  -6.148  -4.087
  158   HG22  ILE  26          2HG2      ILE  26   8.123  -5.148  -3.793
  159   HG23  ILE  26          3HG2      ILE  26   7.028  -4.754  -5.118
  160   HD11  ILE  26          3HD1      ILE  26   5.512  -2.042  -4.852
  161   HD12  ILE  26          1HD1      ILE  26   7.089  -2.643  -5.364
  162   HD13  ILE  26          2HD1      ILE  26   6.960  -1.080  -4.557
  163    HA   PRO  27           HA       PRO  27   4.608  -5.510  -5.988
  164    HB2  PRO  27           2HB      PRO  27   2.785  -6.954  -7.361
  165    HB3  PRO  27           3HB      PRO  27   4.366  -7.604  -6.894
  166    HG2  PRO  27           2HG      PRO  27   1.707  -8.038  -5.623
  167    HG3  PRO  27           3HG      PRO  27   3.007  -9.205  -5.942
  168    HD2  PRO  27           2HD      PRO  27   2.588  -8.082  -3.499
  169    HD3  PRO  27           3HD      PRO  27   4.183  -8.609  -4.067
  170    H    GLY  28           H        GLY  28   1.472  -5.960  -4.441
  171    HA2  GLY  28           2HA      GLY  28  -0.035  -4.163  -4.056
  172    HA3  GLY  28           3HA      GLY  28   0.611  -3.348  -5.471
  173    H    ASN  29           H        ASN  29   0.373  -5.973  -7.006
  174    HA   ASN  29           HA       ASN  29  -2.538  -5.814  -7.472
  175    HB2  ASN  29           2HB      ASN  29  -0.275  -6.340  -9.408
  176    HB3  ASN  29           3HB      ASN  29  -1.967  -6.605  -9.814
  177   HD21  ASN  29          1HD2      ASN  29   0.490  -4.249  -9.138
  178   HD22  ASN  29          2HD2      ASN  29  -0.390  -2.872  -9.699
  179    HA   PRO  30           HA       PRO  30  -4.404  -6.845  -7.256
  180    HB2  PRO  30           2HB      PRO  30  -5.694  -8.177  -5.258
  181    HB3  PRO  30           3HB      PRO  30  -5.756  -8.687  -6.955
  182    HG2  PRO  30           2HG      PRO  30  -4.091  -9.755  -4.729
  183    HG3  PRO  30           3HG      PRO  30  -4.960 -10.627  -6.007
  184    HD2  PRO  30           2HD      PRO  30  -2.295 -10.185  -6.111
  185    HD3  PRO  30           3HD      PRO  30  -3.309 -10.269  -7.564
  186    H    ASP  31           H        ASP  31  -2.304  -7.875  -4.648
  187    HA   ASP  31           HA       ASP  31  -2.405  -5.244  -3.448
  188    HB2  ASP  31           2HB      ASP  31  -2.784  -6.175  -1.129
  189    HB3  ASP  31           3HB      ASP  31  -4.200  -6.184  -2.171
  190    H    GLY  32           H        GLY  32  -0.656  -4.800  -2.057
  191    HA2  GLY  32           2HA      GLY  32   1.441  -6.852  -1.880
  192    HA3  GLY  32           3HA      GLY  32   1.821  -5.308  -2.629
  193    H    THR  33           H        THR  33   3.476  -5.401  -0.849
  194    HA   THR  33           HA       THR  33   2.417  -4.627   1.764
  195    HB   THR  33           HB       THR  33   5.037  -4.682   2.235
  196    HG1  THR  33           HG1      THR  33   5.045  -5.455  -0.211
  197   HG21  THR  33          3HG2      THR  33   3.302  -7.141   2.024
  198   HG22  THR  33          1HG2      THR  33   3.356  -6.024   3.388
  199   HG23  THR  33          2HG2      THR  33   4.773  -6.998   2.987
  200    H    CYS  34           H        CYS  34   2.619  -2.682   2.624
  201    HA   CYS  34           HA       CYS  34   3.424  -0.499   0.924
  202    HB2  CYS  34           2HB      CYS  34   2.239  -0.638   3.695
  203    HB3  CYS  34           3HB      CYS  34   2.700   0.885   2.941
  204    H    TYR  35           H        TYR  35   5.470  -0.091   0.687
  205    HA   TYR  35           HA       TYR  35   7.261  -0.098   3.025
  206    HB2  TYR  35           2HB      TYR  35   7.772  -0.658   0.111
  207    HB3  TYR  35           3HB      TYR  35   9.082  -0.196   1.191
  208    HD1  TYR  35           HD2      TYR  35   9.406  -1.632   3.311
  209    HD2  TYR  35           HD1      TYR  35   7.125  -2.901  -0.055
  210    HE1  TYR  35           HE2      TYR  35   9.636  -3.958   4.041
  211    HE2  TYR  35           HE1      TYR  35   7.349  -5.235   0.673
  212    HH   TYR  35           HH       TYR  35   8.465  -6.110   3.751
  213    H    TYR  36           H        TYR  36   8.684   1.622   3.334
  214    HA   TYR  36           HA       TYR  36   7.703   4.168   2.393
  215    HB2  TYR  36           2HB      TYR  36   9.497   3.230   4.509
  216    HB3  TYR  36           3HB      TYR  36  10.032   4.726   3.752
  217    HD1  TYR  36           HD1      TYR  36   8.269   6.628   3.573
  218    HD2  TYR  36           HD2      TYR  36   7.881   3.292   6.187
  219    HE1  TYR  36           HE1      TYR  36   6.676   7.897   4.947
  220    HE2  TYR  36           HE2      TYR  36   6.283   4.553   7.565
  221    HH   TYR  36           HH       TYR  36   4.857   7.454   6.541
  222    H    LEU  37           H        LEU  37   8.454   5.388   0.809
  223    HA   LEU  37           HA       LEU  37  10.570   4.397  -0.881
  224    HB2  LEU  37           2HB      LEU  37   8.747   6.789  -1.117
  225    HB3  LEU  37           3HB      LEU  37   9.961   6.376  -2.310
  226    HG   LEU  37           HG       LEU  37   7.909   4.326  -1.585
  227   HD11  LEU  37          1HD1      LEU  37   6.594   6.335  -1.937
  228   HD12  LEU  37          2HD1      LEU  37   6.405   5.233  -3.300
  229   HD13  LEU  37          3HD1      LEU  37   7.444   6.649  -3.450
  230   HD21  LEU  37          3HD2      LEU  37   8.208   3.695  -3.929
  231   HD22  LEU  37          1HD2      LEU  37   9.752   3.726  -3.077
  232   HD23  LEU  37          2HD2      LEU  37   9.315   5.049  -4.157
  Start of MODEL    5
    1    H1   PCA   1           H1       PCA   1  -9.960   7.364   3.235
    2    HA   PCA   1           HA       PCA   1 -10.435   4.803   3.799
    3    HB2  PCA   1           3HB      PCA   1 -12.611   4.684   2.793
    4    HB3  PCA   1           2HB      PCA   1 -11.686   4.338   1.281
    5    HG2  PCA   1           3HG      PCA   1 -13.684   6.040   2.689
    6    HG3  PCA   1           2HG      PCA   1 -12.968   6.453   1.109
    7    H    GLY   2           H        GLY   2  -8.831   3.520   2.996
    8    HA2  GLY   2           2HA      GLY   2  -7.424   2.655   1.285
    9    HA3  GLY   2           3HA      GLY   2  -7.587   4.174   0.416
   10    H    CYS   3           H        CYS   3  -6.548   3.213   3.686
   11    HA   CYS   3           HA       CYS   3  -3.963   4.518   3.217
   12    HB2  CYS   3           2HB      CYS   3  -5.793   5.890   4.579
   13    HB3  CYS   3           3HB      CYS   3  -5.236   4.869   5.898
   14    H    ALA   4           H        ALA   4  -2.502   2.976   3.457
   15    HA   ALA   4           HA       ALA   4  -2.845   1.009   5.624
   16    HB1  ALA   4           3HB      ALA   4  -1.119   0.425   3.266
   17    HB2  ALA   4           1HB      ALA   4  -2.871   0.284   3.110
   18    HB3  ALA   4           2HB      ALA   4  -2.010  -0.680   4.311
   19    H    PHE   5           H        PHE   5  -1.021   0.425   6.837
   20    HA   PHE   5           HA       PHE   5   1.064   2.468   6.947
   21    HB2  PHE   5           2HB      PHE   5   0.252   0.258   8.846
   22    HB3  PHE   5           3HB      PHE   5   1.663   1.275   9.110
   23    HD1  PHE   5           HD2      PHE   5   1.423   3.603   9.728
   24    HD2  PHE   5           HD1      PHE   5  -1.987   1.138   9.088
   25    HE1  PHE   5           HE2      PHE   5   0.006   5.284  10.832
   26    HE2  PHE   5           HE1      PHE   5  -3.410   2.814  10.190
   27    HZ   PHE   5           HZ       PHE   5  -2.414   4.890  11.065
   28    H    GLU   6           H        GLU   6   3.332   1.578   7.623
   29    HA   GLU   6           HA       GLU   6   4.363   0.061   5.468
   30    HB2  GLU   6           2HB      GLU   6   5.572   1.805   6.894
   31    HB3  GLU   6           3HB      GLU   6   5.806   0.529   8.076
   32    HG2  GLU   6           2HG      GLU   6   6.948  -0.789   6.263
   33    HG3  GLU   6           3HG      GLU   6   6.881   0.665   5.269
   34    H    GLY   7           H        GLY   7   4.932  -2.015   5.256
   35    HA2  GLY   7           2HA      GLY   7   5.318  -4.246   5.826
   36    HA3  GLY   7           3HA      GLY   7   4.953  -3.858   7.499
   37    H    GLU   8           H        GLU   8   2.450  -2.556   5.920
   38    HA   GLU   8           HA       GLU   8   0.731  -4.867   6.403
   39    HB2  GLU   8           2HB      GLU   8   0.353  -2.407   7.233
   40    HB3  GLU   8           3HB      GLU   8  -0.270  -2.149   5.610
   41    HG2  GLU   8           2HG      GLU   8  -1.945  -3.872   5.955
   42    HG3  GLU   8           3HG      GLU   8  -1.299  -4.200   7.561
   43    H    SER   9           H        SER   9  -0.936  -5.454   4.869
   44    HA   SER   9           HA       SER   9   0.016  -5.261   2.110
   45    HB2  SER   9           2HB      SER   9  -0.407  -7.509   3.142
   46    HB3  SER   9           3HB      SER   9  -2.117  -7.092   3.234
   47    HG   SER   9           HG       SER   9  -2.305  -7.523   1.188
   48    H    CYS  10           H        CYS  10  -0.843  -3.780   0.843
   49    HA   CYS  10           HA       CYS  10  -3.678  -3.061   1.198
   50    HB2  CYS  10           2HB      CYS  10  -3.238  -0.820   0.815
   51    HB3  CYS  10           3HB      CYS  10  -1.796  -1.305   1.694
   52    H    ASN  11           H        ASN  11  -4.863  -2.533  -0.708
   53    HA   ASN  11           HA       ASN  11  -3.926  -3.975  -3.080
   54    HB2  ASN  11           2HB      ASN  11  -6.725  -3.011  -2.488
   55    HB3  ASN  11           3HB      ASN  11  -6.237  -4.116  -3.764
   56   HD21  ASN  11          1HD2      ASN  11  -6.458  -3.731  -0.280
   57   HD22  ASN  11          2HD2      ASN  11  -6.619  -5.414   0.084
   58    H    VAL  12           H        VAL  12  -3.719  -2.985  -5.043
   59    HA   VAL  12           HA       VAL  12  -3.753  -0.069  -4.969
   60    HB   VAL  12           HB       VAL  12  -2.477  -0.116  -7.061
   61   HG11  VAL  12          1HG1      VAL  12  -1.232  -0.158  -4.998
   62   HG12  VAL  12          2HG1      VAL  12  -0.416  -1.173  -6.190
   63   HG13  VAL  12          3HG1      VAL  12  -1.375  -1.914  -4.907
   64   HG21  VAL  12          3HG2      VAL  12  -3.538  -2.274  -7.889
   65   HG22  VAL  12          1HG2      VAL  12  -2.368  -3.117  -6.874
   66   HG23  VAL  12          2HG2      VAL  12  -1.807  -2.080  -8.187
   67    H    GLU  13           H        GLU  13  -6.179  -1.838  -5.230
   68    HA   GLU  13           HA       GLU  13  -7.222  -0.856  -7.803
   69    HB2  GLU  13           2HB      GLU  13  -8.110  -3.203  -6.120
   70    HB3  GLU  13           3HB      GLU  13  -8.873  -2.696  -7.617
   71    HG2  GLU  13           2HG      GLU  13  -5.973  -3.458  -7.543
   72    HG3  GLU  13           3HG      GLU  13  -7.239  -4.681  -7.643
   73    H    PHE  14           H        PHE  14  -7.737  -0.972  -4.335
   74    HA   PHE  14           HA       PHE  14  -9.817   1.056  -4.543
   75    HB2  PHE  14           2HB      PHE  14 -11.225  -0.325  -2.840
   76    HB3  PHE  14           3HB      PHE  14 -11.295  -0.751  -4.544
   77    HD1  PHE  14           HD1      PHE  14 -10.235  -2.772  -5.377
   78    HD2  PHE  14           HD2      PHE  14 -10.205  -1.799  -1.240
   79    HE1  PHE  14           HE1      PHE  14  -9.502  -5.058  -4.851
   80    HE2  PHE  14           HE2      PHE  14  -9.474  -4.084  -0.702
   81    HZ   PHE  14           HZ       PHE  14  -9.106  -5.703  -2.515
   82    H    TYR  15           H        TYR  15  -7.920  -0.991  -2.322
   83    HA   TYR  15           HA       TYR  15  -7.820   1.271  -0.432
   84    HB2  TYR  15           2HB      TYR  15  -8.953  -0.934   0.290
   85    HB3  TYR  15           3HB      TYR  15  -7.328  -1.593   0.349
   86    HD1  TYR  15           HD1      TYR  15  -5.673  -0.650   2.002
   87    HD2  TYR  15           HD2      TYR  15  -9.782   0.477   2.013
   88    HE1  TYR  15           HE1      TYR  15  -5.423   0.219   4.284
   89    HE2  TYR  15           HE2      TYR  15  -9.536   1.353   4.297
   90    HH   TYR  15           HH       TYR  15  -6.520   1.845   5.766
   91    HA   PRO  16           HA       PRO  16  -3.439   0.583  -1.974
   92    HB2  PRO  16           2HB      PRO  16  -2.865   3.196  -2.475
   93    HB3  PRO  16           3HB      PRO  16  -3.699   2.165  -3.654
   94    HG2  PRO  16           2HG      PRO  16  -4.845   4.176  -1.772
   95    HG3  PRO  16           3HG      PRO  16  -5.233   3.881  -3.479
   96    HD2  PRO  16           2HD      PRO  16  -6.763   2.937  -1.451
   97    HD3  PRO  16           3HD      PRO  16  -6.593   2.098  -3.003
   98    H    CYS  17           H        CYS  17  -1.424   2.156  -1.252
   99    HA   CYS  17           HA       CYS  17  -1.273   1.911   1.577
  100    HB2  CYS  17           2HB      CYS  17   0.579   3.176  -0.451
  101    HB3  CYS  17           3HB      CYS  17   0.958   3.061   1.259
  102    H    CYS  18           H        CYS  18  -0.088   4.017   2.704
  103    HA   CYS  18           HA       CYS  18  -2.175   6.013   2.789
  104    HB2  CYS  18           2HB      CYS  18   0.205   5.374   4.487
  105    HB3  CYS  18           3HB      CYS  18  -0.562   6.953   4.627
  106    HA   PRO  19           HA       PRO  19   0.198   8.678   0.026
  107    HB2  PRO  19           2HB      PRO  19  -1.706  10.573  -0.338
  108    HB3  PRO  19           3HB      PRO  19  -1.779   8.986  -1.126
  109    HG2  PRO  19           2HG      PRO  19  -3.291   9.996   1.218
  110    HG3  PRO  19           3HG      PRO  19  -3.806   8.900  -0.078
  111    HD2  PRO  19           2HD      PRO  19  -3.029   8.104   2.461
  112    HD3  PRO  19           3HD      PRO  19  -3.064   7.060   1.028
  113    H    GLY  20           H        GLY  20   1.139  10.778   0.059
  114    HA2  GLY  20           2HA      GLY  20   1.658  12.874   1.007
  115    HA3  GLY  20           3HA      GLY  20   0.736  12.434   2.436
  116    H    LEU  21           H        LEU  21   2.062   9.841   2.735
  117    HA   LEU  21           HA       LEU  21   4.400  10.744   4.177
  118    HB2  LEU  21           2HB      LEU  21   3.374   7.921   3.914
  119    HB3  LEU  21           3HB      LEU  21   4.448   8.541   5.142
  120    HG   LEU  21           HG       LEU  21   1.585   9.457   4.865
  121   HD11  LEU  21          1HD1      LEU  21   1.666   7.033   5.236
  122   HD12  LEU  21          2HD1      LEU  21   1.010   7.899   6.623
  123   HD13  LEU  21          3HD1      LEU  21   2.666   7.294   6.664
  124   HD21  LEU  21          3HD2      LEU  21   1.878  10.151   7.203
  125   HD22  LEU  21          1HD2      LEU  21   3.032  10.955   6.138
  126   HD23  LEU  21          2HD2      LEU  21   3.557   9.610   7.151
  127    H    GLY  22           H        GLY  22   3.826   8.090   1.835
  128    HA2  GLY  22           2HA      GLY  22   5.350   8.294  -0.201
  129    HA3  GLY  22           3HA      GLY  22   6.639   8.340   0.988
  130    H    LEU  23           H        LEU  23   3.757   6.286   1.153
  131    HA   LEU  23           HA       LEU  23   5.479   3.937   1.295
  132    HB2  LEU  23           2HB      LEU  23   2.566   4.437   1.866
  133    HB3  LEU  23           3HB      LEU  23   3.157   2.805   1.670
  134    HG   LEU  23           HG       LEU  23   2.926   3.393   4.022
  135   HD11  LEU  23          1HD1      LEU  23   5.866   3.216   3.465
  136   HD12  LEU  23          2HD1      LEU  23   4.765   1.862   3.215
  137   HD13  LEU  23          3HD1      LEU  23   4.956   2.557   4.824
  138   HD21  LEU  23          3HD2      LEU  23   4.578   5.029   5.008
  139   HD22  LEU  23          1HD2      LEU  23   3.224   5.712   4.109
  140   HD23  LEU  23          2HD2      LEU  23   4.820   5.621   3.365
  141    H    THR  24           H        THR  24   5.075   2.028   0.077
  142    HA   THR  24           HA       THR  24   3.522   2.277  -2.383
  143    HB   THR  24           HB       THR  24   5.724   3.009  -3.100
  144    HG1  THR  24           HG1      THR  24   4.479   0.862  -4.073
  145   HG21  THR  24          3HG2      THR  24   7.682   1.435  -2.997
  146   HG22  THR  24          1HG2      THR  24   6.752   0.446  -1.868
  147   HG23  THR  24          2HG2      THR  24   7.195   2.099  -1.437
  148    H    CYS  25           H        CYS  25   2.426   0.447  -2.826
  149    HA   CYS  25           HA       CYS  25   2.827  -1.866  -1.121
  150    HB2  CYS  25           2HB      CYS  25   0.637  -0.730  -2.600
  151    HB3  CYS  25           3HB      CYS  25   0.833  -2.423  -3.032
  152    H    ILE  26           H        ILE  26   3.970  -3.592  -1.637
  153    HA   ILE  26           HA       ILE  26   4.556  -4.123  -4.475
  154    HB   ILE  26           HB       ILE  26   6.453  -4.601  -2.167
  155   HG12  ILE  26          2HG1      ILE  26   6.185  -2.189  -2.544
  156   HG13  ILE  26          3HG1      ILE  26   7.791  -2.721  -3.005
  157   HG21  ILE  26          1HG2      ILE  26   6.674  -6.139  -4.125
  158   HG22  ILE  26          2HG2      ILE  26   8.117  -5.191  -3.759
  159   HG23  ILE  26          3HG2      ILE  26   7.078  -4.732  -5.110
  160   HD11  ILE  26          3HD1      ILE  26   6.969  -1.091  -4.585
  161   HD12  ILE  26          1HD1      ILE  26   5.515  -2.048  -4.870
  162   HD13  ILE  26          2HD1      ILE  26   7.087  -2.661  -5.380
  163    HA   PRO  27           HA       PRO  27   4.609  -5.524  -5.988
  164    HB2  PRO  27           2HB      PRO  27   2.779  -6.971  -7.351
  165    HB3  PRO  27           3HB      PRO  27   4.362  -7.619  -6.890
  166    HG2  PRO  27           2HG      PRO  27   1.710  -8.050  -5.605
  167    HG3  PRO  27           3HG      PRO  27   3.009  -9.217  -5.927
  168    HD2  PRO  27           2HD      PRO  27   2.600  -8.090  -3.484
  169    HD3  PRO  27           3HD      PRO  27   4.194  -8.615  -4.060
  170    H    GLY  28           H        GLY  28   1.472  -5.971  -4.440
  171    HA2  GLY  28           2HA      GLY  28  -0.030  -4.169  -4.055
  172    HA3  GLY  28           3HA      GLY  28   0.614  -3.358  -5.474
  173    H    ASN  29           H        ASN  29   0.372  -5.981  -7.005
  174    HA   ASN  29           HA       ASN  29  -2.541  -5.823  -7.463
  175    HB2  ASN  29           2HB      ASN  29  -0.282  -6.353  -9.405
  176    HB3  ASN  29           3HB      ASN  29  -1.976  -6.617  -9.807
  177   HD21  ASN  29          1HD2      ASN  29   0.482  -4.261  -9.132
  178   HD22  ASN  29          2HD2      ASN  29  -0.396  -2.884  -9.696
  179    HA   PRO  30           HA       PRO  30  -4.406  -6.855  -7.245
  180    HB2  PRO  30           2HB      PRO  30  -5.694  -8.183  -5.244
  181    HB3  PRO  30           3HB      PRO  30  -5.758  -8.695  -6.941
  182    HG2  PRO  30           2HG      PRO  30  -4.092  -9.762  -4.714
  183    HG3  PRO  30           3HG      PRO  30  -4.962 -10.635  -5.993
  184    HD2  PRO  30           2HD      PRO  30  -2.296 -10.191  -6.096
  185    HD3  PRO  30           3HD      PRO  30  -3.309 -10.280  -7.548
  186    H    ASP  31           H        ASP  31  -2.301  -7.878  -4.639
  187    HA   ASP  31           HA       ASP  31  -2.400  -5.247  -3.442
  188    HB2  ASP  31           2HB      ASP  31  -2.782  -6.170  -1.122
  189    HB3  ASP  31           3HB      ASP  31  -4.198  -6.183  -2.164
  190    H    GLY  32           H        GLY  32  -0.650  -4.799  -2.058
  191    HA2  GLY  32           2HA      GLY  32   1.446  -6.853  -1.875
  192    HA3  GLY  32           3HA      GLY  32   1.827  -5.311  -2.627
  193    H    THR  33           H        THR  33   3.482  -5.397  -0.850
  194    HA   THR  33           HA       THR  33   2.423  -4.619   1.762
  195    HB   THR  33           HB       THR  33   5.042  -4.670   2.235
  196    HG1  THR  33           HG1      THR  33   5.743  -6.645   0.959
  197   HG21  THR  33          3HG2      THR  33   4.778  -6.993   2.981
  198   HG22  THR  33          1HG2      THR  33   3.300  -7.124   2.028
  199   HG23  THR  33          2HG2      THR  33   3.371  -6.011   3.395
  200    H    CYS  34           H        CYS  34   2.622  -2.672   2.616
  201    HA   CYS  34           HA       CYS  34   3.428  -0.492   0.911
  202    HB2  CYS  34           2HB      CYS  34   2.236  -0.626   3.681
  203    HB3  CYS  34           3HB      CYS  34   2.694   0.896   2.923
  204    H    TYR  35           H        TYR  35   5.478  -0.089   0.680
  205    HA   TYR  35           HA       TYR  35   7.260  -0.089   3.022
  206    HB2  TYR  35           2HB      TYR  35   7.782  -0.649   0.111
  207    HB3  TYR  35           3HB      TYR  35   9.088  -0.186   1.195
  208    HD1  TYR  35           HD1      TYR  35   9.410  -1.621   3.313
  209    HD2  TYR  35           HD2      TYR  35   7.134  -2.892  -0.055
  210    HE1  TYR  35           HE1      TYR  35   9.643  -3.947   4.044
  211    HE2  TYR  35           HE2      TYR  35   7.356  -5.225   0.675
  212    HH   TYR  35           HH       TYR  35   8.867  -6.590   2.059
  213    H    TYR  36           H        TYR  36   8.680   1.631   3.336
  214    HA   TYR  36           HA       TYR  36   7.701   4.176   2.391
  215    HB2  TYR  36           2HB      TYR  36   9.484   3.240   4.515
  216    HB3  TYR  36           3HB      TYR  36  10.030   4.732   3.759
  217    HD1  TYR  36           HD2      TYR  36   8.276   6.642   3.566
  218    HD2  TYR  36           HD1      TYR  36   7.856   3.311   6.183
  219    HE1  TYR  36           HE2      TYR  36   6.683   7.921   4.930
  220    HE2  TYR  36           HE1      TYR  36   6.258   4.582   7.550
  221    HH   TYR  36           HH       TYR  36   5.691   6.928   8.018
  222    H    LEU  37           H        LEU  37   8.452   5.388   0.801
  223    HA   LEU  37           HA       LEU  37  10.575   4.399  -0.879
  224    HB2  LEU  37           2HB      LEU  37   8.754   6.791  -1.121
  225    HB3  LEU  37           3HB      LEU  37   9.972   6.378  -2.311
  226    HG   LEU  37           HG       LEU  37   7.917   4.328  -1.593
  227   HD11  LEU  37          1HD1      LEU  37   6.605   6.339  -1.951
  228   HD12  LEU  37          2HD1      LEU  37   6.419   5.233  -3.312
  229   HD13  LEU  37          3HD1      LEU  37   7.459   6.650  -3.462
  230   HD21  LEU  37          3HD2      LEU  37   9.339   5.051  -4.158
  231   HD22  LEU  37          1HD2      LEU  37   8.225   3.701  -3.940
  232   HD23  LEU  37          2HD2      LEU  37   9.762   3.723  -3.076
  Start of MODEL    6
    1    H1   PCA   1           H1       PCA   1 -10.265   7.125   3.995
    2    HA   PCA   1           HA       PCA   1 -10.438   4.760   3.807
    3    HB2  PCA   1           3HB      PCA   1 -12.617   4.662   2.807
    4    HB3  PCA   1           2HB      PCA   1 -11.699   4.347   1.284
    5    HG2  PCA   1           3HG      PCA   1 -13.687   6.024   2.740
    6    HG3  PCA   1           2HG      PCA   1 -12.981   6.466   1.164
    7    H    GLY   2           H        GLY   2  -8.818   3.513   3.003
    8    HA2  GLY   2           2HA      GLY   2  -7.420   2.663   1.274
    9    HA3  GLY   2           3HA      GLY   2  -7.591   4.189   0.421
   10    H    CYS   3           H        CYS   3  -6.550   3.220   3.686
   11    HA   CYS   3           HA       CYS   3  -3.962   4.522   3.218
   12    HB2  CYS   3           2HB      CYS   3  -5.792   5.895   4.581
   13    HB3  CYS   3           3HB      CYS   3  -5.236   4.872   5.899
   14    H    ALA   4           H        ALA   4  -2.504   2.978   3.457
   15    HA   ALA   4           HA       ALA   4  -2.849   1.010   5.625
   16    HB1  ALA   4           3HB      ALA   4  -1.123   0.426   3.266
   17    HB2  ALA   4           1HB      ALA   4  -2.875   0.286   3.111
   18    HB3  ALA   4           2HB      ALA   4  -2.014  -0.678   4.310
   19    H    PHE   5           H        PHE   5  -1.024   0.424   6.837
   20    HA   PHE   5           HA       PHE   5   1.061   2.466   6.949
   21    HB2  PHE   5           2HB      PHE   5   0.249   0.254   8.845
   22    HB3  PHE   5           3HB      PHE   5   1.661   1.271   9.111
   23    HD1  PHE   5           HD2      PHE   5  -1.989   1.133   9.088
   24    HD2  PHE   5           HD1      PHE   5   1.419   3.599   9.730
   25    HE1  PHE   5           HE2      PHE   5  -3.413   2.807  10.193
   26    HE2  PHE   5           HE1      PHE   5   0.002   5.277  10.836
   27    HZ   PHE   5           HZ       PHE   5  -2.419   4.883  11.069
   28    H    GLU   6           H        GLU   6   3.330   1.575   7.625
   29    HA   GLU   6           HA       GLU   6   4.359   0.061   5.467
   30    HB2  GLU   6           2HB      GLU   6   5.568   1.805   6.893
   31    HB3  GLU   6           3HB      GLU   6   5.802   0.530   8.075
   32    HG2  GLU   6           2HG      GLU   6   6.944  -0.788   6.259
   33    HG3  GLU   6           3HG      GLU   6   6.881   0.669   5.270
   34    H    GLY   7           H        GLY   7   4.930  -2.014   5.253
   35    HA2  GLY   7           2HA      GLY   7   5.318  -4.246   5.819
   36    HA3  GLY   7           3HA      GLY   7   4.955  -3.859   7.494
   37    H    GLU   8           H        GLU   8   2.449  -2.558   5.917
   38    HA   GLU   8           HA       GLU   8   0.732  -4.870   6.401
   39    HB2  GLU   8           2HB      GLU   8   0.353  -2.411   7.233
   40    HB3  GLU   8           3HB      GLU   8  -0.271  -2.153   5.610
   41    HG2  GLU   8           2HG      GLU   8  -1.946  -3.874   5.954
   42    HG3  GLU   8           3HG      GLU   8  -1.298  -4.206   7.560
   43    H    SER   9           H        SER   9  -0.937  -5.456   4.868
   44    HA   SER   9           HA       SER   9   0.013  -5.267   2.110
   45    HB2  SER   9           2HB      SER   9  -0.413  -7.514   3.142
   46    HB3  SER   9           3HB      SER   9  -2.123  -7.094   3.237
   47    HG   SER   9           HG       SER   9  -2.311  -7.302   1.119
   48    H    CYS  10           H        CYS  10  -0.842  -3.782   0.844
   49    HA   CYS  10           HA       CYS  10  -3.678  -3.060   1.198
   50    HB2  CYS  10           2HB      CYS  10  -3.236  -0.820   0.818
   51    HB3  CYS  10           3HB      CYS  10  -1.793  -1.307   1.695
   52    H    ASN  11           H        ASN  11  -4.864  -2.536  -0.708
   53    HA   ASN  11           HA       ASN  11  -3.926  -3.976  -3.079
   54    HB2  ASN  11           2HB      ASN  11  -6.724  -3.012  -2.488
   55    HB3  ASN  11           3HB      ASN  11  -6.236  -4.119  -3.763
   56   HD21  ASN  11          1HD2      ASN  11  -6.457  -3.731  -0.280
   57   HD22  ASN  11          2HD2      ASN  11  -6.618  -5.415   0.087
   58    H    VAL  12           H        VAL  12  -3.719  -2.986  -5.043
   59    HA   VAL  12           HA       VAL  12  -3.755  -0.070  -4.969
   60    HB   VAL  12           HB       VAL  12  -2.477  -0.116  -7.060
   61   HG11  VAL  12          1HG1      VAL  12  -1.377  -1.908  -4.901
   62   HG12  VAL  12          2HG1      VAL  12  -1.230  -0.153  -5.001
   63   HG13  VAL  12          3HG1      VAL  12  -0.416  -1.177  -6.187
   64   HG21  VAL  12          3HG2      VAL  12  -2.358  -3.116  -6.872
   65   HG22  VAL  12          1HG2      VAL  12  -1.810  -2.076  -8.188
   66   HG23  VAL  12          2HG2      VAL  12  -3.538  -2.281  -7.883
   67    H    GLU  13           H        GLU  13  -6.179  -1.838  -5.229
   68    HA   GLU  13           HA       GLU  13  -7.222  -0.855  -7.803
   69    HB2  GLU  13           2HB      GLU  13  -8.111  -3.203  -6.122
   70    HB3  GLU  13           3HB      GLU  13  -8.872  -2.697  -7.619
   71    HG2  GLU  13           2HG      GLU  13  -5.971  -3.456  -7.542
   72    HG3  GLU  13           3HG      GLU  13  -7.236  -4.681  -7.643
   73    H    PHE  14           H        PHE  14  -7.737  -0.973  -4.335
   74    HA   PHE  14           HA       PHE  14  -9.818   1.054  -4.542
   75    HB2  PHE  14           2HB      PHE  14 -11.226  -0.329  -2.839
   76    HB3  PHE  14           3HB      PHE  14 -11.296  -0.755  -4.543
   77    HD1  PHE  14           HD2      PHE  14 -10.236  -2.774  -5.376
   78    HD2  PHE  14           HD1      PHE  14 -10.203  -1.803  -1.239
   79    HE1  PHE  14           HE2      PHE  14  -9.506  -5.061  -4.850
   80    HE2  PHE  14           HE1      PHE  14  -9.464  -4.086  -0.703
   81    HZ   PHE  14           HZ       PHE  14  -9.104  -5.705  -2.516
   82    H    TYR  15           H        TYR  15  -7.921  -0.994  -2.320
   83    HA   TYR  15           HA       TYR  15  -7.822   1.268  -0.430
   84    HB2  TYR  15           2HB      TYR  15  -8.953  -0.938   0.292
   85    HB3  TYR  15           3HB      TYR  15  -7.326  -1.596   0.348
   86    HD1  TYR  15           HD2      TYR  15  -5.672  -0.651   2.001
   87    HD2  TYR  15           HD1      TYR  15  -9.781   0.471   2.015
   88    HE1  TYR  15           HE2      TYR  15  -5.421   0.218   4.284
   89    HE2  TYR  15           HE1      TYR  15  -9.536   1.345   4.300
   90    HH   TYR  15           HH       TYR  15  -8.065   1.032   6.245
   91    HA   PRO  16           HA       PRO  16  -3.440   0.584  -1.976
   92    HB2  PRO  16           2HB      PRO  16  -2.868   3.198  -2.474
   93    HB3  PRO  16           3HB      PRO  16  -3.701   2.167  -3.654
   94    HG2  PRO  16           2HG      PRO  16  -4.849   4.176  -1.771
   95    HG3  PRO  16           3HG      PRO  16  -5.236   3.881  -3.479
   96    HD2  PRO  16           2HD      PRO  16  -6.766   2.934  -1.453
   97    HD3  PRO  16           3HD      PRO  16  -6.594   2.096  -3.004
   98    H    CYS  17           H        CYS  17  -1.426   2.159  -1.254
   99    HA   CYS  17           HA       CYS  17  -1.274   1.912   1.576
  100    HB2  CYS  17           2HB      CYS  17   0.577   3.178  -0.452
  101    HB3  CYS  17           3HB      CYS  17   0.956   3.062   1.258
  102    H    CYS  18           H        CYS  18  -0.088   4.017   2.703
  103    HA   CYS  18           HA       CYS  18  -2.176   6.014   2.789
  104    HB2  CYS  18           2HB      CYS  18   0.205   5.374   4.487
  105    HB3  CYS  18           3HB      CYS  18  -0.561   6.954   4.627
  106    HA   PRO  19           HA       PRO  19   0.199   8.680   0.027
  107    HB2  PRO  19           2HB      PRO  19  -1.702  10.575  -0.336
  108    HB3  PRO  19           3HB      PRO  19  -1.777   8.989  -1.126
  109    HG2  PRO  19           2HG      PRO  19  -3.288   9.998   1.219
  110    HG3  PRO  19           3HG      PRO  19  -3.805   8.903  -0.077
  111    HD2  PRO  19           2HD      PRO  19  -3.027   8.106   2.462
  112    HD3  PRO  19           3HD      PRO  19  -3.063   7.062   1.028
  113    H    GLY  20           H        GLY  20   1.138  10.782   0.059
  114    HA2  GLY  20           2HA      GLY  20   1.660  12.875   1.009
  115    HA3  GLY  20           3HA      GLY  20   0.739  12.435   2.437
  116    H    LEU  21           H        LEU  21   2.064   9.841   2.736
  117    HA   LEU  21           HA       LEU  21   4.402  10.742   4.177
  118    HB2  LEU  21           2HB      LEU  21   3.374   7.920   3.913
  119    HB3  LEU  21           3HB      LEU  21   4.449   8.539   5.141
  120    HG   LEU  21           HG       LEU  21   1.587   9.456   4.866
  121   HD11  LEU  21          1HD1      LEU  21   2.667   7.291   6.662
  122   HD12  LEU  21          2HD1      LEU  21   1.667   7.031   5.234
  123   HD13  LEU  21          3HD1      LEU  21   1.011   7.896   6.622
  124   HD21  LEU  21          3HD2      LEU  21   3.559   9.607   7.152
  125   HD22  LEU  21          1HD2      LEU  21   1.881  10.147   7.204
  126   HD23  LEU  21          2HD2      LEU  21   3.033  10.953   6.140
  127    H    GLY  22           H        GLY  22   3.825   8.090   1.833
  128    HA2  GLY  22           2HA      GLY  22   5.349   8.294  -0.203
  129    HA3  GLY  22           3HA      GLY  22   6.639   8.340   0.986
  130    H    LEU  23           H        LEU  23   3.757   6.286   1.151
  131    HA   LEU  23           HA       LEU  23   5.479   3.936   1.293
  132    HB2  LEU  23           2HB      LEU  23   2.566   4.438   1.864
  133    HB3  LEU  23           3HB      LEU  23   3.156   2.806   1.667
  134    HG   LEU  23           HG       LEU  23   2.926   3.393   4.021
  135   HD11  LEU  23          1HD1      LEU  23   5.866   3.217   3.465
  136   HD12  LEU  23          2HD1      LEU  23   4.767   1.862   3.209
  137   HD13  LEU  23          3HD1      LEU  23   4.956   2.553   4.820
  138   HD21  LEU  23          3HD2      LEU  23   4.580   5.027   5.006
  139   HD22  LEU  23          1HD2      LEU  23   3.226   5.712   4.108
  140   HD23  LEU  23          2HD2      LEU  23   4.820   5.620   3.363
  141    H    THR  24           H        THR  24   5.079   2.030   0.076
  142    HA   THR  24           HA       THR  24   3.525   2.277  -2.385
  143    HB   THR  24           HB       THR  24   5.730   3.008  -3.100
  144    HG1  THR  24           HG1      THR  24   4.419   1.090  -4.192
  145   HG21  THR  24          3HG2      THR  24   7.199   2.101  -1.437
  146   HG22  THR  24          1HG2      THR  24   7.687   1.433  -2.996
  147   HG23  THR  24          2HG2      THR  24   6.756   0.448  -1.864
  148    H    CYS  25           H        CYS  25   2.428   0.447  -2.825
  149    HA   CYS  25           HA       CYS  25   2.829  -1.864  -1.120
  150    HB2  CYS  25           2HB      CYS  25   0.640  -0.729  -2.598
  151    HB3  CYS  25           3HB      CYS  25   0.834  -2.422  -3.031
  152    H    ILE  26           H        ILE  26   3.971  -3.592  -1.635
  153    HA   ILE  26           HA       ILE  26   4.557  -4.123  -4.473
  154    HB   ILE  26           HB       ILE  26   6.454  -4.605  -2.165
  155   HG12  ILE  26          2HG1      ILE  26   6.188  -2.191  -2.540
  156   HG13  ILE  26          3HG1      ILE  26   7.793  -2.723  -3.003
  157   HG21  ILE  26          1HG2      ILE  26   7.072  -4.737  -5.110
  158   HG22  ILE  26          2HG2      ILE  26   6.677  -6.141  -4.121
  159   HG23  ILE  26          3HG2      ILE  26   8.120  -5.188  -3.763
  160   HD11  ILE  26          3HD1      ILE  26   5.513  -2.046  -4.863
  161   HD12  ILE  26          1HD1      ILE  26   7.086  -2.660  -5.377
  162   HD13  ILE  26          2HD1      ILE  26   6.968  -1.091  -4.579
  163    HA   PRO  27           HA       PRO  27   4.610  -5.523  -5.987
  164    HB2  PRO  27           2HB      PRO  27   2.780  -6.970  -7.352
  165    HB3  PRO  27           3HB      PRO  27   4.362  -7.617  -6.889
  166    HG2  PRO  27           2HG      PRO  27   1.709  -8.049  -5.607
  167    HG3  PRO  27           3HG      PRO  27   3.008  -9.216  -5.928
  168    HD2  PRO  27           2HD      PRO  27   2.597  -8.088  -3.485
  169    HD3  PRO  27           3HD      PRO  27   4.191  -8.615  -4.059
  170    H    GLY  28           H        GLY  28   1.472  -5.970  -4.440
  171    HA2  GLY  28           2HA      GLY  28  -0.029  -4.168  -4.054
  172    HA3  GLY  28           3HA      GLY  28   0.615  -3.358  -5.474
  173    H    ASN  29           H        ASN  29   0.374  -5.977  -7.007
  174    HA   ASN  29           HA       ASN  29  -2.540  -5.823  -7.464
  175    HB2  ASN  29           2HB      ASN  29  -0.282  -6.353  -9.407
  176    HB3  ASN  29           3HB      ASN  29  -1.976  -6.614  -9.807
  177   HD21  ASN  29          1HD2      ASN  29   0.486  -4.263  -9.134
  178   HD22  ASN  29          2HD2      ASN  29  -0.389  -2.884  -9.696
  179    HA   PRO  30           HA       PRO  30  -4.404  -6.855  -7.246
  180    HB2  PRO  30           2HB      PRO  30  -5.691  -8.186  -5.245
  181    HB3  PRO  30           3HB      PRO  30  -5.754  -8.698  -6.942
  182    HG2  PRO  30           2HG      PRO  30  -4.087  -9.763  -4.715
  183    HG3  PRO  30           3HG      PRO  30  -4.956 -10.637  -5.993
  184    HD2  PRO  30           2HD      PRO  30  -2.292 -10.191  -6.096
  185    HD3  PRO  30           3HD      PRO  30  -3.304 -10.280  -7.549
  186    H    ASP  31           H        ASP  31  -2.298  -7.878  -4.641
  187    HA   ASP  31           HA       ASP  31  -2.399  -5.246  -3.442
  188    HB2  ASP  31           2HB      ASP  31  -2.784  -6.170  -1.123
  189    HB3  ASP  31           3HB      ASP  31  -4.198  -6.184  -2.167
  190    H    GLY  32           H        GLY  32  -0.650  -4.799  -2.056
  191    HA2  GLY  32           2HA      GLY  32   1.446  -6.854  -1.872
  192    HA3  GLY  32           3HA      GLY  32   1.828  -5.313  -2.625
  193    H    THR  33           H        THR  33   3.482  -5.396  -0.849
  194    HA   THR  33           HA       THR  33   2.424  -4.617   1.765
  195    HB   THR  33           HB       THR  33   5.043  -4.668   2.235
  196    HG1  THR  33           HG1      THR  33   5.698  -6.680   0.947
  197   HG21  THR  33          3HG2      THR  33   4.779  -6.989   2.986
  198   HG22  THR  33          1HG2      THR  33   3.300  -7.123   2.032
  199   HG23  THR  33          2HG2      THR  33   3.372  -6.008   3.397
  200    H    CYS  34           H        CYS  34   2.622  -2.670   2.616
  201    HA   CYS  34           HA       CYS  34   3.428  -0.491   0.909
  202    HB2  CYS  34           2HB      CYS  34   2.237  -0.622   3.680
  203    HB3  CYS  34           3HB      CYS  34   2.695   0.898   2.920
  204    H    TYR  35           H        TYR  35   5.479  -0.090   0.678
  205    HA   TYR  35           HA       TYR  35   7.261  -0.088   3.021
  206    HB2  TYR  35           2HB      TYR  35   7.783  -0.650   0.109
  207    HB3  TYR  35           3HB      TYR  35   9.089  -0.187   1.195
  208    HD1  TYR  35           HD1      TYR  35   9.408  -1.621   3.314
  209    HD2  TYR  35           HD2      TYR  35   7.136  -2.892  -0.056
  210    HE1  TYR  35           HE1      TYR  35   9.640  -3.948   4.045
  211    HE2  TYR  35           HE2      TYR  35   7.357  -5.225   0.675
  212    HH   TYR  35           HH       TYR  35   8.861  -6.590   2.059
  213    H    TYR  36           H        TYR  36   8.680   1.632   3.336
  214    HA   TYR  36           HA       TYR  36   7.699   4.176   2.390
  215    HB2  TYR  36           2HB      TYR  36   9.485   3.241   4.513
  216    HB3  TYR  36           3HB      TYR  36  10.030   4.732   3.757
  217    HD1  TYR  36           HD2      TYR  36   8.276   6.643   3.565
  218    HD2  TYR  36           HD1      TYR  36   7.857   3.312   6.181
  219    HE1  TYR  36           HE2      TYR  36   6.682   7.921   4.928
  220    HE2  TYR  36           HE1      TYR  36   6.259   4.583   7.550
  221    HH   TYR  36           HH       TYR  36   5.693   6.931   8.016
  222    H    LEU  37           H        LEU  37   8.452   5.391   0.803
  223    HA   LEU  37           HA       LEU  37  10.574   4.404  -0.879
  224    HB2  LEU  37           2HB      LEU  37   8.749   6.793  -1.120
  225    HB3  LEU  37           3HB      LEU  37   9.968   6.384  -2.311
  226    HG   LEU  37           HG       LEU  37   7.915   4.331  -1.594
  227   HD11  LEU  37          1HD1      LEU  37   7.458   6.650  -3.465
  228   HD12  LEU  37          2HD1      LEU  37   6.602   6.339  -1.956
  229   HD13  LEU  37          3HD1      LEU  37   6.420   5.232  -3.317
  230   HD21  LEU  37          3HD2      LEU  37   8.227   3.701  -3.938
  231   HD22  LEU  37          1HD2      LEU  37   9.762   3.724  -3.072
  232   HD23  LEU  37          2HD2      LEU  37   9.341   5.050  -4.156
  Start of MODEL    7
    1    H1   PCA   1           H1       PCA   1 -11.933   3.461   3.136
    2    HA   PCA   1           HA       PCA   1 -11.389   5.778   3.066
    3    HB2  PCA   1           3HB      PCA   1 -10.687   6.023   5.348
    4    HB3  PCA   1           2HB      PCA   1  -9.022   5.992   4.644
    5    HG2  PCA   1           3HG      PCA   1 -10.980   4.823   6.562
    6    HG3  PCA   1           2HG      PCA   1  -9.416   4.069   6.157
    7    H    GLY   2           H        GLY   2  -8.844   3.288   3.116
    8    HA2  GLY   2           2HA      GLY   2  -7.482   2.736   1.261
    9    HA3  GLY   2           3HA      GLY   2  -7.774   4.335   0.596
   10    H    CYS   3           H        CYS   3  -6.565   3.213   3.753
   11    HA   CYS   3           HA       CYS   3  -3.997   4.529   3.234
   12    HB2  CYS   3           2HB      CYS   3  -5.788   5.913   4.637
   13    HB3  CYS   3           3HB      CYS   3  -5.208   4.888   5.944
   14    H    ALA   4           H        ALA   4  -2.531   2.987   3.455
   15    HA   ALA   4           HA       ALA   4  -2.852   1.010   5.617
   16    HB1  ALA   4           3HB      ALA   4  -2.871   0.318   3.083
   17    HB2  ALA   4           1HB      ALA   4  -2.035  -0.668   4.285
   18    HB3  ALA   4           2HB      ALA   4  -1.121   0.439   3.265
   19    H    PHE   5           H        PHE   5  -1.027   0.432   6.827
   20    HA   PHE   5           HA       PHE   5   1.057   2.476   6.934
   21    HB2  PHE   5           2HB      PHE   5   0.243   0.273   8.837
   22    HB3  PHE   5           3HB      PHE   5   1.657   1.287   9.098
   23    HD1  PHE   5           HD2      PHE   5   1.421   3.616   9.712
   24    HD2  PHE   5           HD1      PHE   5  -1.993   1.156   9.079
   25    HE1  PHE   5           HE2      PHE   5   0.008   5.302  10.814
   26    HE2  PHE   5           HE1      PHE   5  -3.413   2.839  10.179
   27    HZ   PHE   5           HZ       PHE   5  -2.412   4.914  11.049
   28    H    GLU   6           H        GLU   6   3.324   1.580   7.621
   29    HA   GLU   6           HA       GLU   6   4.355   0.061   5.464
   30    HB2  GLU   6           2HB      GLU   6   5.563   1.806   6.892
   31    HB3  GLU   6           3HB      GLU   6   5.798   0.530   8.072
   32    HG2  GLU   6           2HG      GLU   6   6.937  -0.787   6.254
   33    HG3  GLU   6           3HG      GLU   6   6.873   0.671   5.266
   34    H    GLY   7           H        GLY   7   4.931  -2.015   5.259
   35    HA2  GLY   7           2HA      GLY   7   5.314  -4.245   5.831
   36    HA3  GLY   7           3HA      GLY   7   4.947  -3.854   7.504
   37    H    GLU   8           H        GLU   8   2.445  -2.557   5.919
   38    HA   GLU   8           HA       GLU   8   0.729  -4.871   6.399
   39    HB2  GLU   8           2HB      GLU   8   0.345  -2.417   7.240
   40    HB3  GLU   8           3HB      GLU   8  -0.274  -2.151   5.618
   41    HG2  GLU   8           2HG      GLU   8  -1.949  -3.878   5.950
   42    HG3  GLU   8           3HG      GLU   8  -1.305  -4.211   7.558
   43    H    SER   9           H        SER   9  -0.938  -5.455   4.864
   44    HA   SER   9           HA       SER   9   0.014  -5.257   2.107
   45    HB2  SER   9           2HB      SER   9  -2.030  -7.114   3.350
   46    HB3  SER   9           3HB      SER   9  -1.494  -7.169   1.672
   47    HG   SER   9           HG       SER   9   0.706  -7.238   2.972
   48    H    CYS  10           H        CYS  10  -0.841  -3.777   0.837
   49    HA   CYS  10           HA       CYS  10  -3.677  -3.054   1.189
   50    HB2  CYS  10           2HB      CYS  10  -3.233  -0.813   0.807
   51    HB3  CYS  10           3HB      CYS  10  -1.793  -1.301   1.687
   52    H    ASN  11           H        ASN  11  -4.860  -2.528  -0.719
   53    HA   ASN  11           HA       ASN  11  -3.922  -3.973  -3.088
   54    HB2  ASN  11           2HB      ASN  11  -6.719  -3.005  -2.499
   55    HB3  ASN  11           3HB      ASN  11  -6.232  -4.112  -3.774
   56   HD21  ASN  11          1HD2      ASN  11  -6.457  -3.727  -0.292
   57   HD22  ASN  11          2HD2      ASN  11  -6.619  -5.409   0.073
   58    H    VAL  12           H        VAL  12  -3.712  -2.986  -5.052
   59    HA   VAL  12           HA       VAL  12  -3.743  -0.069  -4.982
   60    HB   VAL  12           HB       VAL  12  -2.464  -0.119  -7.073
   61   HG11  VAL  12          1HG1      VAL  12  -1.220  -0.160  -5.010
   62   HG12  VAL  12          2HG1      VAL  12  -0.406  -1.181  -6.198
   63   HG13  VAL  12          3HG1      VAL  12  -1.368  -1.915  -4.914
   64   HG21  VAL  12          3HG2      VAL  12  -1.797  -2.085  -8.194
   65   HG22  VAL  12          1HG2      VAL  12  -3.527  -2.277  -7.901
   66   HG23  VAL  12          2HG2      VAL  12  -2.360  -3.121  -6.882
   67    H    GLU  13           H        GLU  13  -6.170  -1.835  -5.242
   68    HA   GLU  13           HA       GLU  13  -7.211  -0.854  -7.817
   69    HB2  GLU  13           2HB      GLU  13  -8.102  -3.199  -6.132
   70    HB3  GLU  13           3HB      GLU  13  -8.863  -2.692  -7.631
   71    HG2  GLU  13           2HG      GLU  13  -5.963  -3.458  -7.550
   72    HG3  GLU  13           3HG      GLU  13  -7.231  -4.679  -7.654
   73    H    PHE  14           H        PHE  14  -7.724  -0.962  -4.349
   74    HA   PHE  14           HA       PHE  14  -9.803   1.066  -4.559
   75    HB2  PHE  14           2HB      PHE  14 -11.216  -0.312  -2.856
   76    HB3  PHE  14           3HB      PHE  14 -11.284  -0.740  -4.561
   77    HD1  PHE  14           HD2      PHE  14 -10.228  -2.761  -5.390
   78    HD2  PHE  14           HD1      PHE  14 -10.197  -1.787  -1.255
   79    HE1  PHE  14           HE2      PHE  14  -9.503  -5.050  -4.862
   80    HE2  PHE  14           HE1      PHE  14  -9.463  -4.070  -0.715
   81    HZ   PHE  14           HZ       PHE  14  -9.105  -5.692  -2.526
   82    H    TYR  15           H        TYR  15  -7.911  -0.983  -2.335
   83    HA   TYR  15           HA       TYR  15  -7.809   1.281  -0.446
   84    HB2  TYR  15           2HB      TYR  15  -8.948  -0.921   0.276
   85    HB3  TYR  15           3HB      TYR  15  -7.324  -1.584   0.337
   86    HD1  TYR  15           HD2      TYR  15  -5.675  -0.661   1.997
   87    HD2  TYR  15           HD1      TYR  15  -9.770   0.512   1.989
   88    HE1  TYR  15           HE2      TYR  15  -5.425   0.211   4.279
   89    HE2  TYR  15           HE1      TYR  15  -9.526   1.389   4.272
   90    HH   TYR  15           HH       TYR  15  -6.510   1.852   5.753
   91    HA   PRO  16           HA       PRO  16  -3.429   0.581  -1.985
   92    HB2  PRO  16           2HB      PRO  16  -2.849   3.193  -2.490
   93    HB3  PRO  16           3HB      PRO  16  -3.685   2.162  -3.667
   94    HG2  PRO  16           2HG      PRO  16  -4.827   4.178  -1.787
   95    HG3  PRO  16           3HG      PRO  16  -5.215   3.883  -3.495
   96    HD2  PRO  16           2HD      PRO  16  -6.747   2.944  -1.466
   97    HD3  PRO  16           3HD      PRO  16  -6.579   2.103  -3.017
   98    H    CYS  17           H        CYS  17  -1.412   2.155  -1.265
   99    HA   CYS  17           HA       CYS  17  -1.259   1.910   1.564
  100    HB2  CYS  17           2HB      CYS  17   0.590   3.172  -0.469
  101    HB3  CYS  17           3HB      CYS  17   0.970   3.063   1.242
  102    H    CYS  18           H        CYS  18  -0.080   4.011   2.696
  103    HA   CYS  18           HA       CYS  18  -2.166   6.006   2.783
  104    HB2  CYS  18           2HB      CYS  18   0.219   5.371   4.476
  105    HB3  CYS  18           3HB      CYS  18  -0.547   6.950   4.616
  106    HA   PRO  19           HA       PRO  19   0.194   8.676   0.013
  107    HB2  PRO  19           2HB      PRO  19  -1.716  10.563  -0.349
  108    HB3  PRO  19           3HB      PRO  19  -1.787   8.976  -1.136
  109    HG2  PRO  19           2HG      PRO  19  -3.297   9.984   1.210
  110    HG3  PRO  19           3HG      PRO  19  -3.811   8.885  -0.084
  111    HD2  PRO  19           2HD      PRO  19  -3.026   8.095   2.455
  112    HD3  PRO  19           3HD      PRO  19  -3.061   7.049   1.024
  113    H    GLY  20           H        GLY  20   1.142  10.767   0.048
  114    HA2  GLY  20           2HA      GLY  20   1.656  12.867   0.990
  115    HA3  GLY  20           3HA      GLY  20   0.735  12.429   2.420
  116    H    LEU  21           H        LEU  21   2.064   9.838   2.724
  117    HA   LEU  21           HA       LEU  21   4.400  10.746   4.164
  118    HB2  LEU  21           2HB      LEU  21   3.378   7.922   3.905
  119    HB3  LEU  21           3HB      LEU  21   4.452   8.545   5.132
  120    HG   LEU  21           HG       LEU  21   1.587   9.455   4.855
  121   HD11  LEU  21          1HD1      LEU  21   2.675   7.301   6.660
  122   HD12  LEU  21          2HD1      LEU  21   1.677   7.031   5.233
  123   HD13  LEU  21          3HD1      LEU  21   1.016   7.900   6.618
  124   HD21  LEU  21          3HD2      LEU  21   3.561   9.621   7.138
  125   HD22  LEU  21          1HD2      LEU  21   1.881  10.156   7.190
  126   HD23  LEU  21          2HD2      LEU  21   3.030  10.961   6.122
  127    H    GLY  22           H        GLY  22   3.832   8.085   1.828
  128    HA2  GLY  22           2HA      GLY  22   5.358   8.290  -0.208
  129    HA3  GLY  22           3HA      GLY  22   6.646   8.337   0.983
  130    H    LEU  23           H        LEU  23   3.763   6.283   1.146
  131    HA   LEU  23           HA       LEU  23   5.486   3.934   1.291
  132    HB2  LEU  23           2HB      LEU  23   2.573   4.435   1.860
  133    HB3  LEU  23           3HB      LEU  23   3.164   2.804   1.667
  134    HG   LEU  23           HG       LEU  23   2.930   3.395   4.018
  135   HD11  LEU  23          1HD1      LEU  23   5.870   3.214   3.462
  136   HD12  LEU  23          2HD1      LEU  23   4.768   1.861   3.214
  137   HD13  LEU  23          3HD1      LEU  23   4.960   2.557   4.822
  138   HD21  LEU  23          3HD2      LEU  23   4.829   5.619   3.360
  139   HD22  LEU  23          1HD2      LEU  23   4.582   5.029   5.004
  140   HD23  LEU  23          2HD2      LEU  23   3.232   5.713   4.101
  141    H    THR  24           H        THR  24   5.082   2.025   0.075
  142    HA   THR  24           HA       THR  24   3.531   2.272  -2.386
  143    HB   THR  24           HB       THR  24   5.735   3.001  -3.101
  144    HG1  THR  24           HG1      THR  24   5.060   1.869  -4.769
  145   HG21  THR  24          3HG2      THR  24   7.692   1.424  -2.996
  146   HG22  THR  24          1HG2      THR  24   6.759   0.439  -1.867
  147   HG23  THR  24          2HG2      THR  24   7.203   2.091  -1.437
  148    H    CYS  25           H        CYS  25   2.436   0.442  -2.831
  149    HA   CYS  25           HA       CYS  25   2.832  -1.869  -1.123
  150    HB2  CYS  25           2HB      CYS  25   0.645  -0.733  -2.607
  151    HB3  CYS  25           3HB      CYS  25   0.839  -2.427  -3.035
  152    H    ILE  26           H        ILE  26   3.974  -3.597  -1.635
  153    HA   ILE  26           HA       ILE  26   4.563  -4.131  -4.472
  154    HB   ILE  26           HB       ILE  26   6.457  -4.609  -2.161
  155   HG12  ILE  26          2HG1      ILE  26   6.192  -2.196  -2.543
  156   HG13  ILE  26          3HG1      ILE  26   7.797  -2.731  -2.999
  157   HG21  ILE  26          1HG2      ILE  26   7.086  -4.744  -5.103
  158   HG22  ILE  26          2HG2      ILE  26   6.677  -6.148  -4.119
  159   HG23  ILE  26          3HG2      ILE  26   8.123  -5.204  -3.751
  160   HD11  ILE  26          3HD1      ILE  26   5.525  -2.059  -4.870
  161   HD12  ILE  26          1HD1      ILE  26   7.100  -2.671  -5.375
  162   HD13  ILE  26          2HD1      ILE  26   6.978  -1.101  -4.582
  163    HA   PRO  27           HA       PRO  27   4.616  -5.533  -5.985
  164    HB2  PRO  27           2HB      PRO  27   2.786  -6.980  -7.349
  165    HB3  PRO  27           3HB      PRO  27   4.367  -7.629  -6.885
  166    HG2  PRO  27           2HG      PRO  27   1.713  -8.056  -5.603
  167    HG3  PRO  27           3HG      PRO  27   3.011  -9.225  -5.923
  168    HD2  PRO  27           2HD      PRO  27   2.602  -8.094  -3.481
  169    HD3  PRO  27           3HD      PRO  27   4.195  -8.622  -4.054
  170    H    GLY  28           H        GLY  28   1.475  -5.976  -4.441
  171    HA2  GLY  28           2HA      GLY  28  -0.023  -4.171  -4.059
  172    HA3  GLY  28           3HA      GLY  28   0.622  -3.364  -5.478
  173    H    ASN  29           H        ASN  29   0.378  -5.987  -7.007
  174    HA   ASN  29           HA       ASN  29  -2.534  -5.827  -7.468
  175    HB2  ASN  29           2HB      ASN  29  -0.275  -6.363  -9.407
  176    HB3  ASN  29           3HB      ASN  29  -1.968  -6.624  -9.810
  177   HD21  ASN  29          1HD2      ASN  29   0.493  -4.272  -9.135
  178   HD22  ASN  29          2HD2      ASN  29  -0.382  -2.894  -9.701
  179    HA   PRO  30           HA       PRO  30  -4.401  -6.856  -7.250
  180    HB2  PRO  30           2HB      PRO  30  -5.691  -8.181  -5.248
  181    HB3  PRO  30           3HB      PRO  30  -5.755  -8.695  -6.944
  182    HG2  PRO  30           2HG      PRO  30  -4.092  -9.761  -4.715
  183    HG3  PRO  30           3HG      PRO  30  -4.962 -10.635  -5.994
  184    HD2  PRO  30           2HD      PRO  30  -2.295 -10.194  -6.094
  185    HD3  PRO  30           3HD      PRO  30  -3.308 -10.283  -7.548
  186    H    ASP  31           H        ASP  31  -2.299  -7.879  -4.641
  187    HA   ASP  31           HA       ASP  31  -2.397  -5.246  -3.447
  188    HB2  ASP  31           2HB      ASP  31  -2.781  -6.166  -1.126
  189    HB3  ASP  31           3HB      ASP  31  -4.195  -6.179  -2.170
  190    H    GLY  32           H        GLY  32  -0.646  -4.798  -2.061
  191    HA2  GLY  32           2HA      GLY  32   1.447  -6.855  -1.875
  192    HA3  GLY  32           3HA      GLY  32   1.830  -5.314  -2.628
  193    H    THR  33           H        THR  33   3.483  -5.401  -0.848
  194    HA   THR  33           HA       THR  33   2.422  -4.621   1.763
  195    HB   THR  33           HB       THR  33   5.040  -4.674   2.238
  196    HG1  THR  33           HG1      THR  33   5.531  -5.219   0.030
  197   HG21  THR  33          3HG2      THR  33   3.296  -7.127   2.031
  198   HG22  THR  33          1HG2      THR  33   3.367  -6.013   3.397
  199   HG23  THR  33          2HG2      THR  33   4.772  -6.997   2.985
  200    H    CYS  34           H        CYS  34   2.622  -2.673   2.616
  201    HA   CYS  34           HA       CYS  34   3.432  -0.495   0.910
  202    HB2  CYS  34           2HB      CYS  34   2.235  -0.627   3.677
  203    HB3  CYS  34           3HB      CYS  34   2.697   0.894   2.922
  204    H    TYR  35           H        TYR  35   5.482  -0.094   0.680
  205    HA   TYR  35           HA       TYR  35   7.263  -0.093   3.025
  206    HB2  TYR  35           2HB      TYR  35   7.786  -0.656   0.114
  207    HB3  TYR  35           3HB      TYR  35   9.091  -0.193   1.200
  208    HD1  TYR  35           HD1      TYR  35   9.411  -1.626   3.319
  209    HD2  TYR  35           HD2      TYR  35   7.137  -2.899  -0.051
  210    HE1  TYR  35           HE1      TYR  35   9.641  -3.951   4.052
  211    HE2  TYR  35           HE2      TYR  35   7.357  -5.231   0.682
  212    HH   TYR  35           HH       TYR  35   8.473  -6.101   3.765
  213    H    TYR  36           H        TYR  36   8.682   1.628   3.339
  214    HA   TYR  36           HA       TYR  36   7.705   4.172   2.391
  215    HB2  TYR  36           2HB      TYR  36   9.486   3.236   4.517
  216    HB3  TYR  36           3HB      TYR  36  10.034   4.727   3.760
  217    HD1  TYR  36           HD2      TYR  36   8.280   6.638   3.564
  218    HD2  TYR  36           HD1      TYR  36   7.858   3.311   6.184
  219    HE1  TYR  36           HE2      TYR  36   6.686   7.919   4.924
  220    HE2  TYR  36           HE1      TYR  36   6.261   4.585   7.550
  221    HH   TYR  36           HH       TYR  36   5.693   6.931   8.014
  222    H    LEU  37           H        LEU  37   8.459   5.382   0.801
  223    HA   LEU  37           HA       LEU  37  10.584   4.391  -0.875
  224    HB2  LEU  37           2HB      LEU  37   8.764   6.783  -1.122
  225    HB3  LEU  37           3HB      LEU  37   9.983   6.371  -2.310
  226    HG   LEU  37           HG       LEU  37   7.928   4.321  -1.594
  227   HD11  LEU  37          1HD1      LEU  37   6.432   5.225  -3.315
  228   HD12  LEU  37          2HD1      LEU  37   7.473   6.641  -3.464
  229   HD13  LEU  37          3HD1      LEU  37   6.616   6.330  -1.954
  230   HD21  LEU  37          3HD2      LEU  37   9.774   3.714  -3.073
  231   HD22  LEU  37          1HD2      LEU  37   9.352   5.041  -4.156
  232   HD23  LEU  37          2HD2      LEU  37   8.237   3.691  -3.938
  Start of MODEL    8
    1    H1   PCA   1           H1       PCA   1 -10.910   6.349   4.314
    2    HA   PCA   1           HA       PCA   1 -10.412   4.028   4.144
    3    HB2  PCA   1           3HB      PCA   1 -12.560   3.281   3.376
    4    HB3  PCA   1           2HB      PCA   1 -11.747   3.196   1.766
    5    HG2  PCA   1           3HG      PCA   1 -13.977   4.275   3.420
    6    HG3  PCA   1           2HG      PCA   1 -13.588   4.854   1.779
    7    H    GLY   2           H        GLY   2  -8.573   3.293   3.186
    8    HA2  GLY   2           2HA      GLY   2  -7.378   2.837   1.074
    9    HA3  GLY   2           3HA      GLY   2  -7.764   4.483   0.603
   10    H    CYS   3           H        CYS   3  -6.524   3.190   3.675
   11    HA   CYS   3           HA       CYS   3  -3.965   4.541   3.233
   12    HB2  CYS   3           2HB      CYS   3  -5.784   5.908   4.619
   13    HB3  CYS   3           3HB      CYS   3  -5.218   4.874   5.926
   14    H    ALA   4           H        ALA   4  -2.513   2.986   3.445
   15    HA   ALA   4           HA       ALA   4  -2.846   1.001   5.599
   16    HB1  ALA   4           3HB      ALA   4  -2.023  -0.668   4.266
   17    HB2  ALA   4           1HB      ALA   4  -1.071   0.439   3.279
   18    HB3  ALA   4           2HB      ALA   4  -2.816   0.333   3.049
   19    H    PHE   5           H        PHE   5  -1.015   0.400   6.803
   20    HA   PHE   5           HA       PHE   5   1.056   2.459   6.951
   21    HB2  PHE   5           2HB      PHE   5   0.230   0.243   8.834
   22    HB3  PHE   5           3HB      PHE   5   1.640   1.257   9.114
   23    HD1  PHE   5           HD1      PHE   5   1.395   3.583   9.738
   24    HD2  PHE   5           HD2      PHE   5  -2.011   1.121   9.062
   25    HE1  PHE   5           HE1      PHE   5  -0.032   5.259  10.839
   26    HE2  PHE   5           HE2      PHE   5  -3.443   2.793  10.161
   27    HZ   PHE   5           HZ       PHE   5  -2.453   4.865  11.050
   28    H    GLU   6           H        GLU   6   3.323   1.584   7.623
   29    HA   GLU   6           HA       GLU   6   4.365   0.066   5.476
   30    HB2  GLU   6           2HB      GLU   6   5.566   1.813   6.901
   31    HB3  GLU   6           3HB      GLU   6   5.793   0.543   8.091
   32    HG2  GLU   6           2HG      GLU   6   6.944  -0.783   6.284
   33    HG3  GLU   6           3HG      GLU   6   6.891   0.673   5.293
   34    H    GLY   7           H        GLY   7   4.934  -2.010   5.264
   35    HA2  GLY   7           2HA      GLY   7   5.322  -4.240   5.831
   36    HA3  GLY   7           3HA      GLY   7   4.959  -3.854   7.505
   37    H    GLU   8           H        GLU   8   2.453  -2.556   5.920
   38    HA   GLU   8           HA       GLU   8   0.738  -4.871   6.406
   39    HB2  GLU   8           2HB      GLU   8   0.357  -2.415   7.247
   40    HB3  GLU   8           3HB      GLU   8  -0.269  -2.152   5.626
   41    HG2  GLU   8           2HG      GLU   8  -1.941  -3.878   5.967
   42    HG3  GLU   8           3HG      GLU   8  -1.291  -4.212   7.571
   43    H    SER   9           H        SER   9  -0.934  -5.450   4.873
   44    HA   SER   9           HA       SER   9   0.015  -5.253   2.114
   45    HB2  SER   9           2HB      SER   9  -2.030  -7.108   3.358
   46    HB3  SER   9           3HB      SER   9  -1.493  -7.164   1.679
   47    HG   SER   9           HG       SER   9   0.608  -7.615   2.441
   48    H    CYS  10           H        CYS  10  -0.848  -3.789   0.832
   49    HA   CYS  10           HA       CYS  10  -3.681  -3.060   1.191
   50    HB2  CYS  10           2HB      CYS  10  -3.239  -0.820   0.810
   51    HB3  CYS  10           3HB      CYS  10  -1.795  -1.307   1.686
   52    H    ASN  11           H        ASN  11  -4.865  -2.534  -0.718
   53    HA   ASN  11           HA       ASN  11  -3.925  -3.975  -3.088
   54    HB2  ASN  11           2HB      ASN  11  -6.723  -3.010  -2.502
   55    HB3  ASN  11           3HB      ASN  11  -6.234  -4.118  -3.775
   56   HD21  ASN  11          1HD2      ASN  11  -6.460  -3.728  -0.292
   57   HD22  ASN  11          2HD2      ASN  11  -6.623  -5.410   0.075
   58    H    VAL  12           H        VAL  12  -3.716  -2.984  -5.051
   59    HA   VAL  12           HA       VAL  12  -3.748  -0.067  -4.973
   60    HB   VAL  12           HB       VAL  12  -2.469  -0.111  -7.064
   61   HG11  VAL  12          1HG1      VAL  12  -0.409  -1.164  -6.190
   62   HG12  VAL  12          2HG1      VAL  12  -1.367  -1.915  -4.914
   63   HG13  VAL  12          3HG1      VAL  12  -1.230  -0.157  -4.994
   64   HG21  VAL  12          3HG2      VAL  12  -2.360  -3.112  -6.878
   65   HG22  VAL  12          1HG2      VAL  12  -1.796  -2.075  -8.189
   66   HG23  VAL  12          2HG2      VAL  12  -3.527  -2.269  -7.897
   67    H    GLU  13           H        GLU  13  -6.174  -1.839  -5.244
   68    HA   GLU  13           HA       GLU  13  -7.212  -0.846  -7.814
   69    HB2  GLU  13           2HB      GLU  13  -8.104  -3.201  -6.144
   70    HB3  GLU  13           3HB      GLU  13  -8.862  -2.688  -7.640
   71    HG2  GLU  13           2HG      GLU  13  -5.962  -3.449  -7.561
   72    HG3  GLU  13           3HG      GLU  13  -7.228  -4.673  -7.671
   73    H    PHE  14           H        PHE  14  -7.732  -0.977  -4.348
   74    HA   PHE  14           HA       PHE  14  -9.815   1.048  -4.550
   75    HB2  PHE  14           2HB      PHE  14 -11.225  -0.341  -2.855
   76    HB3  PHE  14           3HB      PHE  14 -11.291  -0.760  -4.563
   77    HD1  PHE  14           HD2      PHE  14 -10.232  -2.776  -5.401
   78    HD2  PHE  14           HD1      PHE  14 -10.200  -1.820  -1.260
   79    HE1  PHE  14           HE2      PHE  14  -9.501  -5.066  -4.884
   80    HE2  PHE  14           HE1      PHE  14  -9.462  -4.105  -0.732
   81    HZ   PHE  14           HZ       PHE  14  -9.101  -5.718  -2.551
   82    H    TYR  15           H        TYR  15  -7.916  -1.003  -2.335
   83    HA   TYR  15           HA       TYR  15  -7.828   1.250  -0.434
   84    HB2  TYR  15           2HB      TYR  15  -8.952  -0.963   0.275
   85    HB3  TYR  15           3HB      TYR  15  -7.323  -1.618   0.328
   86    HD1  TYR  15           HD1      TYR  15  -5.665  -0.653   1.976
   87    HD2  TYR  15           HD2      TYR  15  -9.791   0.404   2.020
   88    HE1  TYR  15           HE1      TYR  15  -5.417   0.199   4.266
   89    HE2  TYR  15           HE2      TYR  15  -9.549   1.263   4.310
   90    HH   TYR  15           HH       TYR  15  -8.064   0.955   6.246
   91    HA   PRO  16           HA       PRO  16  -3.441   0.589  -1.978
   92    HB2  PRO  16           2HB      PRO  16  -2.880   3.206  -2.470
   93    HB3  PRO  16           3HB      PRO  16  -3.710   2.176  -3.651
   94    HG2  PRO  16           2HG      PRO  16  -4.865   4.174  -1.761
   95    HG3  PRO  16           3HG      PRO  16  -5.251   3.886  -3.470
   96    HD2  PRO  16           2HD      PRO  16  -6.777   2.925  -1.447
   97    HD3  PRO  16           3HD      PRO  16  -6.602   2.093  -3.002
   98    H    CYS  17           H        CYS  17  -1.431   2.159  -1.250
   99    HA   CYS  17           HA       CYS  17  -1.282   1.913   1.580
  100    HB2  CYS  17           2HB      CYS  17   0.573   3.181  -0.443
  101    HB3  CYS  17           3HB      CYS  17   0.950   3.056   1.267
  102    H    CYS  18           H        CYS  18  -0.086   4.023   2.698
  103    HA   CYS  18           HA       CYS  18  -2.173   6.021   2.788
  104    HB2  CYS  18           2HB      CYS  18   0.215   5.387   4.480
  105    HB3  CYS  18           3HB      CYS  18  -0.559   6.962   4.622
  106    HA   PRO  19           HA       PRO  19   0.201   8.677   0.015
  107    HB2  PRO  19           2HB      PRO  19  -1.701  10.571  -0.356
  108    HB3  PRO  19           3HB      PRO  19  -1.777   8.981  -1.138
  109    HG2  PRO  19           2HG      PRO  19  -3.284  10.002   1.204
  110    HG3  PRO  19           3HG      PRO  19  -3.804   8.903  -0.087
  111    HD2  PRO  19           2HD      PRO  19  -3.025   8.113   2.454
  112    HD3  PRO  19           3HD      PRO  19  -3.063   7.065   1.023
  113    H    GLY  20           H        GLY  20   1.143  10.776   0.042
  114    HA2  GLY  20           2HA      GLY  20   1.665  12.874   0.983
  115    HA3  GLY  20           3HA      GLY  20   0.743  12.439   2.414
  116    H    LEU  21           H        LEU  21   2.067   9.846   2.723
  117    HA   LEU  21           HA       LEU  21   4.404  10.752   4.162
  118    HB2  LEU  21           2HB      LEU  21   3.378   7.929   3.905
  119    HB3  LEU  21           3HB      LEU  21   4.452   8.551   5.132
  120    HG   LEU  21           HG       LEU  21   1.589   9.465   4.854
  121   HD11  LEU  21          1HD1      LEU  21   1.673   7.041   5.229
  122   HD12  LEU  21          2HD1      LEU  21   1.015   7.909   6.615
  123   HD13  LEU  21          3HD1      LEU  21   2.671   7.307   6.658
  124   HD21  LEU  21          3HD2      LEU  21   3.563   9.625   7.138
  125   HD22  LEU  21          1HD2      LEU  21   1.883  10.164   7.191
  126   HD23  LEU  21          2HD2      LEU  21   3.034  10.967   6.123
  127    H    GLY  22           H        GLY  22   3.835   8.086   1.832
  128    HA2  GLY  22           2HA      GLY  22   5.365   8.290  -0.204
  129    HA3  GLY  22           3HA      GLY  22   6.650   8.334   0.990
  130    H    LEU  23           H        LEU  23   3.763   6.286   1.147
  131    HA   LEU  23           HA       LEU  23   5.480   3.934   1.294
  132    HB2  LEU  23           2HB      LEU  23   2.566   4.439   1.860
  133    HB3  LEU  23           3HB      LEU  23   3.156   2.806   1.666
  134    HG   LEU  23           HG       LEU  23   2.921   3.399   4.018
  135   HD11  LEU  23          1HD1      LEU  23   4.951   2.561   4.825
  136   HD12  LEU  23          2HD1      LEU  23   5.860   3.210   3.463
  137   HD13  LEU  23          3HD1      LEU  23   4.755   1.859   3.219
  138   HD21  LEU  23          3HD2      LEU  23   3.229   5.718   4.103
  139   HD22  LEU  23          1HD2      LEU  23   4.827   5.619   3.361
  140   HD23  LEU  23          2HD2      LEU  23   4.578   5.029   5.005
  141    H    THR  24           H        THR  24   5.078   2.026   0.078
  142    HA   THR  24           HA       THR  24   3.530   2.273  -2.386
  143    HB   THR  24           HB       THR  24   5.737   3.002  -3.098
  144    HG1  THR  24           HG1      THR  24   6.111   1.374  -4.690
  145   HG21  THR  24          3HG2      THR  24   7.692   1.425  -2.988
  146   HG22  THR  24          1HG2      THR  24   6.757   0.438  -1.863
  147   HG23  THR  24          2HG2      THR  24   7.201   2.090  -1.430
  148    H    CYS  25           H        CYS  25   2.433   0.445  -2.828
  149    HA   CYS  25           HA       CYS  25   2.828  -1.866  -1.121
  150    HB2  CYS  25           2HB      CYS  25   0.642  -0.729  -2.603
  151    HB3  CYS  25           3HB      CYS  25   0.836  -2.422  -3.036
  152    H    ILE  26           H        ILE  26   3.971  -3.594  -1.634
  153    HA   ILE  26           HA       ILE  26   4.561  -4.126  -4.471
  154    HB   ILE  26           HB       ILE  26   6.452  -4.609  -2.159
  155   HG12  ILE  26          2HG1      ILE  26   6.189  -2.196  -2.538
  156   HG13  ILE  26          3HG1      ILE  26   7.795  -2.731  -2.994
  157   HG21  ILE  26          1HG2      ILE  26   8.120  -5.200  -3.749
  158   HG22  ILE  26          2HG2      ILE  26   7.082  -4.741  -5.100
  159   HG23  ILE  26          3HG2      ILE  26   6.675  -6.147  -4.117
  160   HD11  ILE  26          3HD1      ILE  26   6.983  -1.100  -4.576
  161   HD12  ILE  26          1HD1      ILE  26   5.524  -2.052  -4.863
  162   HD13  ILE  26          2HD1      ILE  26   7.095  -2.671  -5.371
  163    HA   PRO  27           HA       PRO  27   4.613  -5.527  -5.984
  164    HB2  PRO  27           2HB      PRO  27   2.783  -6.972  -7.351
  165    HB3  PRO  27           3HB      PRO  27   4.365  -7.622  -6.885
  166    HG2  PRO  27           2HG      PRO  27   1.710  -8.048  -5.605
  167    HG3  PRO  27           3HG      PRO  27   3.006  -9.219  -5.926
  168    HD2  PRO  27           2HD      PRO  27   2.601  -8.094  -3.483
  169    HD3  PRO  27           3HD      PRO  27   4.194  -8.618  -4.059
  170    H    GLY  28           H        GLY  28   1.474  -5.970  -4.440
  171    HA2  GLY  28           2HA      GLY  28  -0.028  -4.168  -4.058
  172    HA3  GLY  28           3HA      GLY  28   0.620  -3.357  -5.475
  173    H    ASN  29           H        ASN  29   0.379  -5.976  -7.011
  174    HA   ASN  29           HA       ASN  29  -2.534  -5.818  -7.473
  175    HB2  ASN  29           2HB      ASN  29  -0.273  -6.346  -9.413
  176    HB3  ASN  29           3HB      ASN  29  -1.965  -6.606  -9.817
  177   HD21  ASN  29          1HD2      ASN  29  -3.332  -4.836 -10.044
  178   HD22  ASN  29          2HD2      ASN  29  -2.726  -3.232 -10.254
  179    HA   PRO  30           HA       PRO  30  -4.399  -6.851  -7.260
  180    HB2  PRO  30           2HB      PRO  30  -5.689  -8.182  -5.262
  181    HB3  PRO  30           3HB      PRO  30  -5.751  -8.691  -6.961
  182    HG2  PRO  30           2HG      PRO  30  -4.087  -9.762  -4.732
  183    HG3  PRO  30           3HG      PRO  30  -4.955 -10.633  -6.013
  184    HD2  PRO  30           2HD      PRO  30  -2.290 -10.189  -6.113
  185    HD3  PRO  30           3HD      PRO  30  -3.302 -10.275  -7.566
  186    H    ASP  31           H        ASP  31  -2.298  -7.877  -4.652
  187    HA   ASP  31           HA       ASP  31  -2.399  -5.247  -3.450
  188    HB2  ASP  31           2HB      ASP  31  -2.786  -6.173  -1.132
  189    HB3  ASP  31           3HB      ASP  31  -4.199  -6.184  -2.178
  190    H    GLY  32           H        GLY  32  -0.652  -4.801  -2.061
  191    HA2  GLY  32           2HA      GLY  32   1.442  -6.856  -1.876
  192    HA3  GLY  32           3HA      GLY  32   1.826  -5.315  -2.627
  193    H    THR  33           H        THR  33   3.478  -5.400  -0.848
  194    HA   THR  33           HA       THR  33   2.416  -4.621   1.763
  195    HB   THR  33           HB       THR  33   5.036  -4.674   2.235
  196    HG1  THR  33           HG1      THR  33   4.792  -5.771  -0.230
  197   HG21  THR  33          3HG2      THR  33   3.363  -6.008   3.400
  198   HG22  THR  33          1HG2      THR  33   4.766  -6.993   2.990
  199   HG23  THR  33          2HG2      THR  33   3.287  -7.125   2.037
  200    H    CYS  34           H        CYS  34   2.610  -2.672   2.613
  201    HA   CYS  34           HA       CYS  34   3.423  -0.494   0.909
  202    HB2  CYS  34           2HB      CYS  34   2.227  -0.623   3.676
  203    HB3  CYS  34           3HB      CYS  34   2.684   0.896   2.913
  204    H    TYR  35           H        TYR  35   5.476  -0.096   0.682
  205    HA   TYR  35           HA       TYR  35   7.252  -0.095   3.030
  206    HB2  TYR  35           2HB      TYR  35   7.780  -0.658   0.120
  207    HB3  TYR  35           3HB      TYR  35   9.084  -0.197   1.210
  208    HD1  TYR  35           HD2      TYR  35   9.395  -1.632   3.329
  209    HD2  TYR  35           HD1      TYR  35   7.129  -2.900  -0.047
  210    HE1  TYR  35           HE2      TYR  35   9.618  -3.958   4.063
  211    HE2  TYR  35           HE1      TYR  35   7.344  -5.233   0.685
  212    HH   TYR  35           HH       TYR  35   8.451  -6.106   3.771
  213    H    TYR  36           H        TYR  36   8.681   1.622   3.339
  214    HA   TYR  36           HA       TYR  36   7.704   4.169   2.394
  215    HB2  TYR  36           2HB      TYR  36   9.488   3.230   4.518
  216    HB3  TYR  36           3HB      TYR  36  10.032   4.723   3.761
  217    HD1  TYR  36           HD2      TYR  36   8.277   6.632   3.570
  218    HD2  TYR  36           HD1      TYR  36   7.860   3.301   6.186
  219    HE1  TYR  36           HE2      TYR  36   6.683   7.909   4.934
  220    HE2  TYR  36           HE1      TYR  36   6.262   4.570   7.555
  221    HH   TYR  36           HH       TYR  36   4.849   7.469   6.520
  222    H    LEU  37           H        LEU  37   8.459   5.380   0.805
  223    HA   LEU  37           HA       LEU  37  10.580   4.385  -0.874
  224    HB2  LEU  37           2HB      LEU  37   8.764   6.781  -1.119
  225    HB3  LEU  37           3HB      LEU  37   9.981   6.365  -2.308
  226    HG   LEU  37           HG       LEU  37   7.921   4.320  -1.589
  227   HD11  LEU  37          1HD1      LEU  37   7.471   6.642  -3.459
  228   HD12  LEU  37          2HD1      LEU  37   6.614   6.333  -1.949
  229   HD13  LEU  37          3HD1      LEU  37   6.427   5.228  -3.311
  230   HD21  LEU  37          3HD2      LEU  37   9.346   5.036  -4.154
  231   HD22  LEU  37          1HD2      LEU  37   8.228   3.690  -3.935
  232   HD23  LEU  37          2HD2      LEU  37   9.766   3.710  -3.071
  Start of MODEL    9
    1    H1   PCA   1           H1       PCA   1 -11.934   3.506   3.109
    2    HA   PCA   1           HA       PCA   1 -11.370   5.818   3.025
    3    HB2  PCA   1           3HB      PCA   1 -10.677   6.076   5.307
    4    HB3  PCA   1           2HB      PCA   1  -9.010   6.027   4.612
    5    HG2  PCA   1           3HG      PCA   1 -10.985   4.888   6.528
    6    HG3  PCA   1           2HG      PCA   1  -9.426   4.118   6.137
    7    H    GLY   2           H        GLY   2  -8.845   3.310   3.106
    8    HA2  GLY   2           2HA      GLY   2  -7.477   2.731   1.264
    9    HA3  GLY   2           3HA      GLY   2  -7.755   4.326   0.582
   10    H    CYS   3           H        CYS   3  -6.567   3.223   3.752
   11    HA   CYS   3           HA       CYS   3  -3.993   4.529   3.235
   12    HB2  CYS   3           2HB      CYS   3  -5.786   5.916   4.635
   13    HB3  CYS   3           3HB      CYS   3  -5.209   4.890   5.943
   14    H    ALA   4           H        ALA   4  -2.531   2.986   3.458
   15    HA   ALA   4           HA       ALA   4  -2.855   1.012   5.622
   16    HB1  ALA   4           3HB      ALA   4  -1.129   0.434   3.264
   17    HB2  ALA   4           1HB      ALA   4  -2.881   0.314   3.092
   18    HB3  ALA   4           2HB      ALA   4  -2.041  -0.669   4.291
   19    H    PHE   5           H        PHE   5  -1.032   0.436   6.833
   20    HA   PHE   5           HA       PHE   5   1.055   2.476   6.935
   21    HB2  PHE   5           2HB      PHE   5   0.240   0.275   8.840
   22    HB3  PHE   5           3HB      PHE   5   1.657   1.286   9.099
   23    HD1  PHE   5           HD2      PHE   5   1.430   3.616   9.712
   24    HD2  PHE   5           HD1      PHE   5  -1.994   1.166   9.084
   25    HE1  PHE   5           HE2      PHE   5   0.023   5.306  10.814
   26    HE2  PHE   5           HE1      PHE   5  -3.407   2.853  10.185
   27    HZ   PHE   5           HZ       PHE   5  -2.399   4.926  11.053
   28    H    GLU   6           H        GLU   6   3.322   1.579   7.620
   29    HA   GLU   6           HA       GLU   6   4.350   0.061   5.463
   30    HB2  GLU   6           2HB      GLU   6   5.561   1.805   6.891
   31    HB3  GLU   6           3HB      GLU   6   5.797   0.527   8.068
   32    HG2  GLU   6           2HG      GLU   6   6.933  -0.787   6.245
   33    HG3  GLU   6           3HG      GLU   6   6.868   0.674   5.261
   34    H    GLY   7           H        GLY   7   4.930  -2.016   5.258
   35    HA2  GLY   7           2HA      GLY   7   5.314  -4.245   5.831
   36    HA3  GLY   7           3HA      GLY   7   4.946  -3.855   7.502
   37    H    GLU   8           H        GLU   8   2.443  -2.559   5.917
   38    HA   GLU   8           HA       GLU   8   0.729  -4.875   6.397
   39    HB2  GLU   8           2HB      GLU   8   0.344  -2.422   7.240
   40    HB3  GLU   8           3HB      GLU   8  -0.276  -2.154   5.618
   41    HG2  GLU   8           2HG      GLU   8  -1.949  -3.881   5.947
   42    HG3  GLU   8           3HG      GLU   8  -1.307  -4.216   7.554
   43    H    SER   9           H        SER   9  -0.938  -5.458   4.863
   44    HA   SER   9           HA       SER   9   0.013  -5.259   2.105
   45    HB2  SER   9           2HB      SER   9  -2.030  -7.117   3.348
   46    HB3  SER   9           3HB      SER   9  -1.493  -7.173   1.670
   47    HG   SER   9           HG       SER   9   0.670  -7.192   3.180
   48    H    CYS  10           H        CYS  10  -0.840  -3.776   0.839
   49    HA   CYS  10           HA       CYS  10  -3.677  -3.055   1.191
   50    HB2  CYS  10           2HB      CYS  10  -3.234  -0.814   0.809
   51    HB3  CYS  10           3HB      CYS  10  -1.793  -1.302   1.688
   52    H    ASN  11           H        ASN  11  -4.861  -2.529  -0.718
   53    HA   ASN  11           HA       ASN  11  -3.922  -3.972  -3.087
   54    HB2  ASN  11           2HB      ASN  11  -6.720  -3.007  -2.498
   55    HB3  ASN  11           3HB      ASN  11  -6.232  -4.112  -3.774
   56   HD21  ASN  11          1HD2      ASN  11  -6.454  -3.730  -0.290
   57   HD22  ASN  11          2HD2      ASN  11  -6.616  -5.413   0.073
   58    H    VAL  12           H        VAL  12  -3.712  -2.986  -5.051
   59    HA   VAL  12           HA       VAL  12  -3.744  -0.069  -4.980
   60    HB   VAL  12           HB       VAL  12  -2.465  -0.119  -7.071
   61   HG11  VAL  12          1HG1      VAL  12  -1.367  -1.916  -4.913
   62   HG12  VAL  12          2HG1      VAL  12  -1.221  -0.160  -5.007
   63   HG13  VAL  12          3HG1      VAL  12  -0.406  -1.179  -6.197
   64   HG21  VAL  12          3HG2      VAL  12  -2.361  -3.119  -6.879
   65   HG22  VAL  12          1HG2      VAL  12  -1.796  -2.085  -8.192
   66   HG23  VAL  12          2HG2      VAL  12  -3.528  -2.276  -7.899
   67    H    GLU  13           H        GLU  13  -6.171  -1.836  -5.241
   68    HA   GLU  13           HA       GLU  13  -7.211  -0.855  -7.815
   69    HB2  GLU  13           2HB      GLU  13  -8.103  -3.200  -6.130
   70    HB3  GLU  13           3HB      GLU  13  -8.863  -2.694  -7.628
   71    HG2  GLU  13           2HG      GLU  13  -5.964  -3.458  -7.550
   72    HG3  GLU  13           3HG      GLU  13  -7.231  -4.680  -7.651
   73    H    PHE  14           H        PHE  14  -7.725  -0.964  -4.346
   74    HA   PHE  14           HA       PHE  14  -9.805   1.064  -4.556
   75    HB2  PHE  14           2HB      PHE  14 -11.216  -0.315  -2.854
   76    HB3  PHE  14           3HB      PHE  14 -11.286  -0.742  -4.558
   77    HD1  PHE  14           HD2      PHE  14 -10.228  -2.763  -5.388
   78    HD2  PHE  14           HD1      PHE  14 -10.197  -1.789  -1.252
   79    HE1  PHE  14           HE2      PHE  14  -9.503  -5.051  -4.861
   80    HE2  PHE  14           HE1      PHE  14  -9.463  -4.073  -0.713
   81    HZ   PHE  14           HZ       PHE  14  -9.104  -5.694  -2.524
   82    H    TYR  15           H        TYR  15  -7.912  -0.984  -2.332
   83    HA   TYR  15           HA       TYR  15  -7.809   1.279  -0.444
   84    HB2  TYR  15           2HB      TYR  15  -8.948  -0.924   0.278
   85    HB3  TYR  15           3HB      TYR  15  -7.324  -1.586   0.339
   86    HD1  TYR  15           HD1      TYR  15  -5.675  -0.661   2.000
   87    HD2  TYR  15           HD2      TYR  15  -9.772   0.507   1.992
   88    HE1  TYR  15           HE1      TYR  15  -5.426   0.210   4.282
   89    HE2  TYR  15           HE2      TYR  15  -9.528   1.385   4.274
   90    HH   TYR  15           HH       TYR  15  -8.072   1.060   6.227
   91    HA   PRO  16           HA       PRO  16  -3.430   0.581  -1.983
   92    HB2  PRO  16           2HB      PRO  16  -2.851   3.193  -2.488
   93    HB3  PRO  16           3HB      PRO  16  -3.687   2.161  -3.665
   94    HG2  PRO  16           2HG      PRO  16  -4.829   4.177  -1.785
   95    HG3  PRO  16           3HG      PRO  16  -5.216   3.881  -3.493
   96    HD2  PRO  16           2HD      PRO  16  -6.749   2.942  -1.464
   97    HD3  PRO  16           3HD      PRO  16  -6.581   2.101  -3.015
   98    H    CYS  17           H        CYS  17  -1.413   2.155  -1.263
   99    HA   CYS  17           HA       CYS  17  -1.260   1.909   1.565
  100    HB2  CYS  17           2HB      CYS  17   0.589   3.171  -0.466
  101    HB3  CYS  17           3HB      CYS  17   0.968   3.063   1.245
  102    H    CYS  18           H        CYS  18  -0.080   4.012   2.696
  103    HA   CYS  18           HA       CYS  18  -2.166   6.007   2.784
  104    HB2  CYS  18           2HB      CYS  18   0.219   5.372   4.476
  105    HB3  CYS  18           3HB      CYS  18  -0.547   6.951   4.616
  106    HA   PRO  19           HA       PRO  19   0.194   8.676   0.013
  107    HB2  PRO  19           2HB      PRO  19  -1.715  10.564  -0.350
  108    HB3  PRO  19           3HB      PRO  19  -1.786   8.976  -1.136
  109    HG2  PRO  19           2HG      PRO  19  -3.295   9.985   1.210
  110    HG3  PRO  19           3HG      PRO  19  -3.810   8.886  -0.083
  111    HD2  PRO  19           2HD      PRO  19  -3.025   8.096   2.455
  112    HD3  PRO  19           3HD      PRO  19  -3.062   7.050   1.024
  113    H    GLY  20           H        GLY  20   1.142  10.767   0.047
  114    HA2  GLY  20           2HA      GLY  20   1.657  12.868   0.989
  115    HA3  GLY  20           3HA      GLY  20   0.736  12.430   2.419
  116    H    LEU  21           H        LEU  21   2.064   9.838   2.724
  117    HA   LEU  21           HA       LEU  21   4.401  10.747   4.163
  118    HB2  LEU  21           2HB      LEU  21   3.378   7.923   3.905
  119    HB3  LEU  21           3HB      LEU  21   4.453   8.546   5.132
  120    HG   LEU  21           HG       LEU  21   1.588   9.455   4.856
  121   HD11  LEU  21          1HD1      LEU  21   1.017   7.901   6.618
  122   HD12  LEU  21          2HD1      LEU  21   2.675   7.302   6.661
  123   HD13  LEU  21          3HD1      LEU  21   1.677   7.032   5.233
  124   HD21  LEU  21          3HD2      LEU  21   3.562   9.621   7.139
  125   HD22  LEU  21          1HD2      LEU  21   1.882  10.157   7.191
  126   HD23  LEU  21          2HD2      LEU  21   3.031  10.962   6.122
  127    H    GLY  22           H        GLY  22   3.832   8.086   1.827
  128    HA2  GLY  22           2HA      GLY  22   5.358   8.291  -0.209
  129    HA3  GLY  22           3HA      GLY  22   6.645   8.337   0.982
  130    H    LEU  23           H        LEU  23   3.763   6.284   1.146
  131    HA   LEU  23           HA       LEU  23   5.486   3.935   1.291
  132    HB2  LEU  23           2HB      LEU  23   2.571   4.436   1.861
  133    HB3  LEU  23           3HB      LEU  23   3.163   2.804   1.667
  134    HG   LEU  23           HG       LEU  23   2.930   3.394   4.018
  135   HD11  LEU  23          1HD1      LEU  23   5.870   3.215   3.463
  136   HD12  LEU  23          2HD1      LEU  23   4.769   1.862   3.211
  137   HD13  LEU  23          3HD1      LEU  23   4.960   2.556   4.820
  138   HD21  LEU  23          3HD2      LEU  23   3.232   5.714   4.102
  139   HD22  LEU  23          1HD2      LEU  23   4.830   5.620   3.361
  140   HD23  LEU  23          2HD2      LEU  23   4.583   5.029   5.004
  141    H    THR  24           H        THR  24   5.083   2.026   0.074
  142    HA   THR  24           HA       THR  24   3.530   2.272  -2.387
  143    HB   THR  24           HB       THR  24   5.735   3.003  -3.102
  144    HG1  THR  24           HG1      THR  24   5.058   1.869  -4.768
  145   HG21  THR  24          3HG2      THR  24   7.202   2.094  -1.437
  146   HG22  THR  24          1HG2      THR  24   7.692   1.427  -2.996
  147   HG23  THR  24          2HG2      THR  24   6.759   0.442  -1.866
  148    H    CYS  25           H        CYS  25   2.435   0.444  -2.830
  149    HA   CYS  25           HA       CYS  25   2.832  -1.868  -1.122
  150    HB2  CYS  25           2HB      CYS  25   0.645  -0.732  -2.605
  151    HB3  CYS  25           3HB      CYS  25   0.839  -2.426  -3.035
  152    H    ILE  26           H        ILE  26   3.973  -3.596  -1.636
  153    HA   ILE  26           HA       ILE  26   4.562  -4.129  -4.472
  154    HB   ILE  26           HB       ILE  26   6.457  -4.609  -2.163
  155   HG12  ILE  26          2HG1      ILE  26   6.192  -2.196  -2.542
  156   HG13  ILE  26          3HG1      ILE  26   7.797  -2.730  -3.000
  157   HG21  ILE  26          1HG2      ILE  26   7.082  -4.743  -5.106
  158   HG22  ILE  26          2HG2      ILE  26   6.679  -6.147  -4.118
  159   HG23  ILE  26          3HG2      ILE  26   8.123  -5.199  -3.754
  160   HD11  ILE  26          3HD1      ILE  26   6.978  -1.099  -4.581
  161   HD12  ILE  26          1HD1      ILE  26   5.523  -2.055  -4.869
  162   HD13  ILE  26          2HD1      ILE  26   7.096  -2.669  -5.376
  163    HA   PRO  27           HA       PRO  27   4.616  -5.532  -5.986
  164    HB2  PRO  27           2HB      PRO  27   2.786  -6.978  -7.349
  165    HB3  PRO  27           3HB      PRO  27   4.368  -7.627  -6.886
  166    HG2  PRO  27           2HG      PRO  27   1.714  -8.055  -5.603
  167    HG3  PRO  27           3HG      PRO  27   3.012  -9.223  -5.923
  168    HD2  PRO  27           2HD      PRO  27   2.603  -8.094  -3.482
  169    HD3  PRO  27           3HD      PRO  27   4.196  -8.621  -4.055
  170    H    GLY  28           H        GLY  28   1.476  -5.975  -4.441
  171    HA2  GLY  28           2HA      GLY  28  -0.023  -4.170  -4.059
  172    HA3  GLY  28           3HA      GLY  28   0.623  -3.363  -5.478
  173    H    ASN  29           H        ASN  29   0.379  -5.987  -7.007
  174    HA   ASN  29           HA       ASN  29  -2.534  -5.827  -7.467
  175    HB2  ASN  29           2HB      ASN  29  -0.275  -6.361  -9.408
  176    HB3  ASN  29           3HB      ASN  29  -1.969  -6.622  -9.810
  177   HD21  ASN  29          1HD2      ASN  29  -3.334  -4.852 -10.042
  178   HD22  ASN  29          2HD2      ASN  29  -2.728  -3.249 -10.256
  179    HA   PRO  30           HA       PRO  30  -4.401  -6.856  -7.250
  180    HB2  PRO  30           2HB      PRO  30  -5.691  -8.181  -5.248
  181    HB3  PRO  30           3HB      PRO  30  -5.755  -8.695  -6.945
  182    HG2  PRO  30           2HG      PRO  30  -4.091  -9.762  -4.716
  183    HG3  PRO  30           3HG      PRO  30  -4.960 -10.634  -5.994
  184    HD2  PRO  30           2HD      PRO  30  -2.294 -10.193  -6.095
  185    HD3  PRO  30           3HD      PRO  30  -3.307 -10.282  -7.548
  186    H    ASP  31           H        ASP  31  -2.298  -7.878  -4.642
  187    HA   ASP  31           HA       ASP  31  -2.396  -5.246  -3.447
  188    HB2  ASP  31           2HB      ASP  31  -2.780  -6.167  -1.126
  189    HB3  ASP  31           3HB      ASP  31  -4.195  -6.179  -2.171
  190    H    GLY  32           H        GLY  32  -0.646  -4.799  -2.061
  191    HA2  GLY  32           2HA      GLY  32   1.447  -6.854  -1.876
  192    HA3  GLY  32           3HA      GLY  32   1.830  -5.314  -2.628
  193    H    THR  33           H        THR  33   3.484  -5.400  -0.848
  194    HA   THR  33           HA       THR  33   2.422  -4.620   1.763
  195    HB   THR  33           HB       THR  33   5.041  -4.674   2.238
  196    HG1  THR  33           HG1      THR  33   5.442  -5.237  -0.028
  197   HG21  THR  33          3HG2      THR  33   3.297  -7.126   2.030
  198   HG22  THR  33          1HG2      THR  33   3.368  -6.013   3.396
  199   HG23  THR  33          2HG2      THR  33   4.774  -6.996   2.985
  200    H    CYS  34           H        CYS  34   2.622  -2.673   2.617
  201    HA   CYS  34           HA       CYS  34   3.432  -0.495   0.911
  202    HB2  CYS  34           2HB      CYS  34   2.237  -0.626   3.678
  203    HB3  CYS  34           3HB      CYS  34   2.699   0.894   2.922
  204    H    TYR  35           H        TYR  35   5.482  -0.093   0.680
  205    HA   TYR  35           HA       TYR  35   7.264  -0.093   3.024
  206    HB2  TYR  35           2HB      TYR  35   7.786  -0.655   0.112
  207    HB3  TYR  35           3HB      TYR  35   9.092  -0.192   1.197
  208    HD1  TYR  35           HD2      TYR  35   9.412  -1.625   3.316
  209    HD2  TYR  35           HD1      TYR  35   7.136  -2.898  -0.052
  210    HE1  TYR  35           HE2      TYR  35   9.640  -3.951   4.050
  211    HE2  TYR  35           HE1      TYR  35   7.357  -5.231   0.680
  212    HH   TYR  35           HH       TYR  35   8.866  -6.594   2.066
  213    H    TYR  36           H        TYR  36   8.681   1.628   3.339
  214    HA   TYR  36           HA       TYR  36   7.704   4.172   2.392
  215    HB2  TYR  36           2HB      TYR  36   9.483   3.236   4.520
  216    HB3  TYR  36           3HB      TYR  36  10.032   4.727   3.763
  217    HD1  TYR  36           HD1      TYR  36   8.279   6.639   3.563
  218    HD2  TYR  36           HD2      TYR  36   7.857   3.314   6.187
  219    HE1  TYR  36           HE1      TYR  36   6.687   7.922   4.924
  220    HE2  TYR  36           HE2      TYR  36   6.259   4.588   7.551
  221    HH   TYR  36           HH       TYR  36   5.692   6.935   8.013
  222    H    LEU  37           H        LEU  37   8.459   5.384   0.803
  223    HA   LEU  37           HA       LEU  37  10.585   4.394  -0.872
  224    HB2  LEU  37           2HB      LEU  37   8.763   6.785  -1.120
  225    HB3  LEU  37           3HB      LEU  37   9.983   6.373  -2.307
  226    HG   LEU  37           HG       LEU  37   7.928   4.322  -1.592
  227   HD11  LEU  37          1HD1      LEU  37   7.472   6.643  -3.463
  228   HD12  LEU  37          2HD1      LEU  37   6.615   6.331  -1.953
  229   HD13  LEU  37          3HD1      LEU  37   6.433   5.226  -3.315
  230   HD21  LEU  37          3HD2      LEU  37   8.240   3.694  -3.937
  231   HD22  LEU  37          1HD2      LEU  37   9.776   3.718  -3.072
  232   HD23  LEU  37          2HD2      LEU  37   9.353   5.043  -4.155
  Start of MODEL   10
    1    H1   PCA   1           H1       PCA   1 -10.414   7.068   3.869
    2    HA   PCA   1           HA       PCA   1 -10.476   4.692   3.784
    3    HB2  PCA   1           3HB      PCA   1 -12.660   4.452   2.817
    4    HB3  PCA   1           2HB      PCA   1 -11.745   4.110   1.298
    5    HG2  PCA   1           3HG      PCA   1 -13.792   5.757   2.701
    6    HG3  PCA   1           2HG      PCA   1 -13.124   6.161   1.099
    7    H    GLY   2           H        GLY   2  -8.800   3.494   3.016
    8    HA2  GLY   2           2HA      GLY   2  -7.421   2.638   1.254
    9    HA3  GLY   2           3HA      GLY   2  -7.613   4.165   0.407
   10    H    CYS   3           H        CYS   3  -6.549   3.181   3.661
   11    HA   CYS   3           HA       CYS   3  -3.977   4.513   3.197
   12    HB2  CYS   3           2HB      CYS   3  -5.812   5.875   4.559
   13    HB3  CYS   3           3HB      CYS   3  -5.255   4.853   5.877
   14    H    ALA   4           H        ALA   4  -2.504   2.984   3.439
   15    HA   ALA   4           HA       ALA   4  -2.832   1.015   5.606
   16    HB1  ALA   4           3HB      ALA   4  -1.090   0.426   3.264
   17    HB2  ALA   4           1HB      ALA   4  -2.840   0.302   3.078
   18    HB3  ALA   4           2HB      ALA   4  -2.010  -0.672   4.291
   19    H    PHE   5           H        PHE   5  -0.997   0.440   6.813
   20    HA   PHE   5           HA       PHE   5   1.079   2.496   6.906
   21    HB2  PHE   5           2HB      PHE   5   0.257   0.312   8.829
   22    HB3  PHE   5           3HB      PHE   5   1.683   1.313   9.081
   23    HD1  PHE   5           HD2      PHE   5  -1.970   1.226   9.062
   24    HD2  PHE   5           HD1      PHE   5   1.475   3.648   9.678
   25    HE1  PHE   5           HE2      PHE   5  -3.369   2.933  10.151
   26    HE2  PHE   5           HE1      PHE   5   0.083   5.358  10.768
   27    HZ   PHE   5           HZ       PHE   5  -2.343   5.002  11.005
   28    H    GLU   6           H        GLU   6   3.346   1.590   7.622
   29    HA   GLU   6           HA       GLU   6   4.381   0.071   5.467
   30    HB2  GLU   6           2HB      GLU   6   5.584   1.820   6.897
   31    HB3  GLU   6           3HB      GLU   6   5.821   0.540   8.075
   32    HG2  GLU   6           2HG      GLU   6   6.970  -0.771   6.269
   33    HG3  GLU   6           3HG      GLU   6   6.888   0.675   5.264
   34    H    GLY   7           H        GLY   7   4.943  -2.005   5.263
   35    HA2  GLY   7           2HA      GLY   7   5.322  -4.236   5.838
   36    HA3  GLY   7           3HA      GLY   7   4.958  -3.842   7.510
   37    H    GLU   8           H        GLU   8   2.460  -2.538   5.924
   38    HA   GLU   8           HA       GLU   8   0.733  -4.842   6.413
   39    HB2  GLU   8           2HB      GLU   8   0.365  -2.372   7.231
   40    HB3  GLU   8           3HB      GLU   8  -0.266  -2.128   5.609
   41    HG2  GLU   8           2HG      GLU   8  -1.938  -3.849   5.976
   42    HG3  GLU   8           3HG      GLU   8  -1.285  -4.162   7.583
   43    H    SER   9           H        SER   9  -0.930  -5.432   4.879
   44    HA   SER   9           HA       SER   9   0.023  -5.244   2.120
   45    HB2  SER   9           2HB      SER   9  -0.399  -7.491   3.158
   46    HB3  SER   9           3HB      SER   9  -2.110  -7.075   3.246
   47    HG   SER   9           HG       SER   9  -1.047  -8.249   1.280
   48    H    CYS  10           H        CYS  10  -0.844  -3.783   0.836
   49    HA   CYS  10           HA       CYS  10  -3.679  -3.060   1.196
   50    HB2  CYS  10           2HB      CYS  10  -3.243  -0.819   0.807
   51    HB3  CYS  10           3HB      CYS  10  -1.802  -1.301   1.691
   52    H    ASN  11           H        ASN  11  -4.862  -2.531  -0.713
   53    HA   ASN  11           HA       ASN  11  -3.925  -3.976  -3.082
   54    HB2  ASN  11           2HB      ASN  11  -6.723  -3.008  -2.495
   55    HB3  ASN  11           3HB      ASN  11  -6.235  -4.117  -3.767
   56   HD21  ASN  11          1HD2      ASN  11  -6.459  -3.723  -0.285
   57   HD22  ASN  11          2HD2      ASN  11  -6.623  -5.405   0.084
   58    H    VAL  12           H        VAL  12  -3.718  -2.987  -5.048
   59    HA   VAL  12           HA       VAL  12  -3.750  -0.071  -4.973
   60    HB   VAL  12           HB       VAL  12  -2.473  -0.116  -7.064
   61   HG11  VAL  12          1HG1      VAL  12  -1.365  -1.922  -4.921
   62   HG12  VAL  12          2HG1      VAL  12  -1.239  -0.164  -4.989
   63   HG13  VAL  12          3HG1      VAL  12  -0.412  -1.155  -6.192
   64   HG21  VAL  12          3HG2      VAL  12  -3.532  -2.273  -7.894
   65   HG22  VAL  12          1HG2      VAL  12  -2.365  -3.117  -6.877
   66   HG23  VAL  12          2HG2      VAL  12  -1.801  -2.079  -8.188
   67    H    GLU  13           H        GLU  13  -6.177  -1.841  -5.237
   68    HA   GLU  13           HA       GLU  13  -7.217  -0.857  -7.811
   69    HB2  GLU  13           2HB      GLU  13  -8.104  -3.204  -6.129
   70    HB3  GLU  13           3HB      GLU  13  -8.871  -2.695  -7.622
   71    HG2  GLU  13           2HG      GLU  13  -5.971  -3.455  -7.559
   72    HG3  GLU  13           3HG      GLU  13  -7.236  -4.681  -7.655
   73    H    PHE  14           H        PHE  14  -7.735  -0.975  -4.343
   74    HA   PHE  14           HA       PHE  14  -9.816   1.052  -4.551
   75    HB2  PHE  14           2HB      PHE  14 -11.225  -0.331  -2.850
   76    HB3  PHE  14           3HB      PHE  14 -11.294  -0.757  -4.556
   77    HD1  PHE  14           HD1      PHE  14 -10.230  -2.774  -5.388
   78    HD2  PHE  14           HD2      PHE  14 -10.206  -1.806  -1.250
   79    HE1  PHE  14           HE1      PHE  14  -9.497  -5.061  -4.863
   80    HE2  PHE  14           HE2      PHE  14  -9.474  -4.091  -0.714
   81    HZ   PHE  14           HZ       PHE  14  -9.103  -5.708  -2.528
   82    H    TYR  15           H        TYR  15  -7.918  -0.994  -2.330
   83    HA   TYR  15           HA       TYR  15  -7.826   1.266  -0.438
   84    HB2  TYR  15           2HB      TYR  15  -8.953  -0.943   0.281
   85    HB3  TYR  15           3HB      TYR  15  -7.326  -1.598   0.338
   86    HD1  TYR  15           HD1      TYR  15  -5.672  -0.647   1.992
   87    HD2  TYR  15           HD2      TYR  15  -9.787   0.457   2.007
   88    HE1  TYR  15           HE1      TYR  15  -5.425   0.221   4.275
   89    HE2  TYR  15           HE2      TYR  15  -9.545   1.331   4.293
   90    HH   TYR  15           HH       TYR  15  -8.074   1.024   6.236
   91    HA   PRO  16           HA       PRO  16  -3.442   0.592  -1.978
   92    HB2  PRO  16           2HB      PRO  16  -2.873   3.208  -2.472
   93    HB3  PRO  16           3HB      PRO  16  -3.705   2.179  -3.654
   94    HG2  PRO  16           2HG      PRO  16  -4.856   4.181  -1.764
   95    HG3  PRO  16           3HG      PRO  16  -5.241   3.892  -3.474
   96    HD2  PRO  16           2HD      PRO  16  -6.772   2.936  -1.452
   97    HD3  PRO  16           3HD      PRO  16  -6.597   2.103  -3.006
   98    H    CYS  17           H        CYS  17  -1.428   2.160  -1.252
   99    HA   CYS  17           HA       CYS  17  -1.276   1.911   1.577
  100    HB2  CYS  17           2HB      CYS  17   0.573   3.184  -0.448
  101    HB3  CYS  17           3HB      CYS  17   0.952   3.063   1.263
  102    H    CYS  18           H        CYS  18  -0.093   4.013   2.709
  103    HA   CYS  18           HA       CYS  18  -2.181   6.011   2.796
  104    HB2  CYS  18           2HB      CYS  18   0.188   5.360   4.505
  105    HB3  CYS  18           3HB      CYS  18  -0.573   6.942   4.644
  106    HA   PRO  19           HA       PRO  19   0.206   8.691   0.060
  107    HB2  PRO  19           2HB      PRO  19  -1.687  10.599  -0.284
  108    HB3  PRO  19           3HB      PRO  19  -1.768   9.021  -1.090
  109    HG2  PRO  19           2HG      PRO  19  -3.278  10.016   1.263
  110    HG3  PRO  19           3HG      PRO  19  -3.795   8.930  -0.041
  111    HD2  PRO  19           2HD      PRO  19  -3.020   8.118   2.496
  112    HD3  PRO  19           3HD      PRO  19  -3.064   7.081   1.056
  113    H    GLY  20           H        GLY  20   1.128  10.810   0.095
  114    HA2  GLY  20           2HA      GLY  20   1.665  12.888   1.063
  115    HA3  GLY  20           3HA      GLY  20   0.750  12.437   2.492
  116    H    LEU  21           H        LEU  21   2.076   9.837   2.754
  117    HA   LEU  21           HA       LEU  21   4.423  10.724   4.193
  118    HB2  LEU  21           2HB      LEU  21   3.383   7.907   3.919
  119    HB3  LEU  21           3HB      LEU  21   4.464   8.516   5.147
  120    HG   LEU  21           HG       LEU  21   1.608   9.457   4.887
  121   HD11  LEU  21          1HD1      LEU  21   1.660   7.028   5.222
  122   HD12  LEU  21          2HD1      LEU  21   1.017   7.882   6.625
  123   HD13  LEU  21          3HD1      LEU  21   2.666   7.256   6.652
  124   HD21  LEU  21          3HD2      LEU  21   3.083  10.917   6.178
  125   HD22  LEU  21          1HD2      LEU  21   3.577   9.550   7.178
  126   HD23  LEU  21          2HD2      LEU  21   1.910  10.123   7.227
  127    H    GLY  22           H        GLY  22   3.820   8.090   1.836
  128    HA2  GLY  22           2HA      GLY  22   5.326   8.291  -0.208
  129    HA3  GLY  22           3HA      GLY  22   6.628   8.341   0.967
  130    H    LEU  23           H        LEU  23   3.751   6.280   1.152
  131    HA   LEU  23           HA       LEU  23   5.480   3.934   1.291
  132    HB2  LEU  23           2HB      LEU  23   2.566   4.432   1.866
  133    HB3  LEU  23           3HB      LEU  23   3.156   2.801   1.667
  134    HG   LEU  23           HG       LEU  23   2.928   3.385   4.020
  135   HD11  LEU  23          1HD1      LEU  23   4.960   2.545   4.818
  136   HD12  LEU  23          2HD1      LEU  23   5.867   3.207   3.461
  137   HD13  LEU  23          3HD1      LEU  23   4.767   1.855   3.206
  138   HD21  LEU  23          3HD2      LEU  23   4.817   5.617   3.359
  139   HD22  LEU  23          1HD2      LEU  23   4.593   5.017   5.002
  140   HD23  LEU  23          2HD2      LEU  23   3.228   5.700   4.121
  141    H    THR  24           H        THR  24   5.076   2.022   0.075
  142    HA   THR  24           HA       THR  24   3.523   2.269  -2.385
  143    HB   THR  24           HB       THR  24   5.727   3.000  -3.102
  144    HG1  THR  24           HG1      THR  24   4.559   1.593  -4.513
  145   HG21  THR  24          3HG2      THR  24   7.686   1.432  -2.996
  146   HG22  THR  24          1HG2      THR  24   6.755   0.436  -1.875
  147   HG23  THR  24          2HG2      THR  24   7.193   2.087  -1.435
  148    H    CYS  25           H        CYS  25   2.426   0.441  -2.826
  149    HA   CYS  25           HA       CYS  25   2.825  -1.871  -1.121
  150    HB2  CYS  25           2HB      CYS  25   0.637  -0.735  -2.603
  151    HB3  CYS  25           3HB      CYS  25   0.832  -2.429  -3.032
  152    H    ILE  26           H        ILE  26   3.966  -3.600  -1.637
  153    HA   ILE  26           HA       ILE  26   4.552  -4.132  -4.473
  154    HB   ILE  26           HB       ILE  26   6.448  -4.615  -2.164
  155   HG12  ILE  26          2HG1      ILE  26   6.186  -2.201  -2.545
  156   HG13  ILE  26          3HG1      ILE  26   7.790  -2.737  -3.002
  157   HG21  ILE  26          1HG2      ILE  26   8.115  -5.199  -3.763
  158   HG22  ILE  26          2HG2      ILE  26   7.065  -4.754  -5.110
  159   HG23  ILE  26          3HG2      ILE  26   6.673  -6.155  -4.114
  160   HD11  ILE  26          3HD1      ILE  26   5.518  -2.061  -4.872
  161   HD12  ILE  26          1HD1      ILE  26   7.092  -2.677  -5.378
  162   HD13  ILE  26          2HD1      ILE  26   6.974  -1.106  -4.585
  163    HA   PRO  27           HA       PRO  27   4.603  -5.534  -5.987
  164    HB2  PRO  27           2HB      PRO  27   2.773  -6.980  -7.351
  165    HB3  PRO  27           3HB      PRO  27   4.355  -7.629  -6.886
  166    HG2  PRO  27           2HG      PRO  27   1.701  -8.055  -5.605
  167    HG3  PRO  27           3HG      PRO  27   2.998  -9.225  -5.925
  168    HD2  PRO  27           2HD      PRO  27   2.589  -8.095  -3.483
  169    HD3  PRO  27           3HD      PRO  27   4.182  -8.624  -4.056
  170    H    GLY  28           H        GLY  28   1.466  -5.974  -4.438
  171    HA2  GLY  28           2HA      GLY  28  -0.034  -4.172  -4.055
  172    HA3  GLY  28           3HA      GLY  28   0.611  -3.362  -5.473
  173    H    ASN  29           H        ASN  29   0.368  -5.984  -7.005
  174    HA   ASN  29           HA       ASN  29  -2.544  -5.825  -7.466
  175    HB2  ASN  29           2HB      ASN  29  -0.284  -6.355  -9.405
  176    HB3  ASN  29           3HB      ASN  29  -1.976  -6.622  -9.807
  177   HD21  ASN  29          1HD2      ASN  29  -3.348  -4.857 -10.039
  178   HD22  ASN  29          2HD2      ASN  29  -2.747  -3.251 -10.253
  179    HA   PRO  30           HA       PRO  30  -4.409  -6.857  -7.245
  180    HB2  PRO  30           2HB      PRO  30  -5.696  -8.184  -5.243
  181    HB3  PRO  30           3HB      PRO  30  -5.761  -8.697  -6.940
  182    HG2  PRO  30           2HG      PRO  30  -4.094  -9.765  -4.715
  183    HG3  PRO  30           3HG      PRO  30  -4.965 -10.636  -5.993
  184    HD2  PRO  30           2HD      PRO  30  -2.300 -10.195  -6.097
  185    HD3  PRO  30           3HD      PRO  30  -3.314 -10.282  -7.548
  186    H    ASP  31           H        ASP  31  -2.304  -7.881  -4.640
  187    HA   ASP  31           HA       ASP  31  -2.401  -5.249  -3.443
  188    HB2  ASP  31           2HB      ASP  31  -2.786  -6.173  -1.123
  189    HB3  ASP  31           3HB      ASP  31  -4.201  -6.183  -2.166
  190    H    GLY  32           H        GLY  32  -0.652  -4.804  -2.055
  191    HA2  GLY  32           2HA      GLY  32   1.440  -6.861  -1.868
  192    HA3  GLY  32           3HA      GLY  32   1.825  -5.323  -2.623
  193    H    THR  33           H        THR  33   3.479  -5.406  -0.845
  194    HA   THR  33           HA       THR  33   2.419  -4.622   1.766
  195    HB   THR  33           HB       THR  33   5.038  -4.673   2.239
  196    HG1  THR  33           HG1      THR  33   5.101  -5.414  -0.189
  197   HG21  THR  33          3HG2      THR  33   3.296  -7.127   2.036
  198   HG22  THR  33          1HG2      THR  33   3.367  -6.012   3.401
  199   HG23  THR  33          2HG2      THR  33   4.773  -6.994   2.989
  200    H    CYS  34           H        CYS  34   2.618  -2.672   2.614
  201    HA   CYS  34           HA       CYS  34   3.425  -0.496   0.906
  202    HB2  CYS  34           2HB      CYS  34   2.232  -0.625   3.673
  203    HB3  CYS  34           3HB      CYS  34   2.691   0.895   2.915
  204    H    TYR  35           H        TYR  35   5.476  -0.095   0.673
  205    HA   TYR  35           HA       TYR  35   7.257  -0.088   3.017
  206    HB2  TYR  35           2HB      TYR  35   7.780  -0.658   0.108
  207    HB3  TYR  35           3HB      TYR  35   9.085  -0.194   1.194
  208    HD1  TYR  35           HD1      TYR  35   9.397  -1.621   3.320
  209    HD2  TYR  35           HD2      TYR  35   7.136  -2.901  -0.057
  210    HE1  TYR  35           HE1      TYR  35   9.624  -3.946   4.058
  211    HE2  TYR  35           HE2      TYR  35   7.355  -5.232   0.681
  212    HH   TYR  35           HH       TYR  35   8.854  -6.593   2.075
  213    H    TYR  36           H        TYR  36   8.670   1.633   3.333
  214    HA   TYR  36           HA       TYR  36   7.695   4.176   2.378
  215    HB2  TYR  36           2HB      TYR  36   9.465   3.242   4.511
  216    HB3  TYR  36           3HB      TYR  36  10.032   4.722   3.746
  217    HD1  TYR  36           HD1      TYR  36   8.297   6.651   3.529
  218    HD2  TYR  36           HD2      TYR  36   7.837   3.349   6.175
  219    HE1  TYR  36           HE1      TYR  36   6.715   7.959   4.878
  220    HE2  TYR  36           HE2      TYR  36   6.248   4.648   7.527
  221    HH   TYR  36           HH       TYR  36   5.705   7.005   7.971
  222    H    LEU  37           H        LEU  37   8.450   5.385   0.787
  223    HA   LEU  37           HA       LEU  37  10.573   4.389  -0.888
  224    HB2  LEU  37           2HB      LEU  37   8.751   6.779  -1.139
  225    HB3  LEU  37           3HB      LEU  37   9.974   6.369  -2.325
  226    HG   LEU  37           HG       LEU  37   7.916   4.319  -1.610
  227   HD11  LEU  37          1HD1      LEU  37   7.473   6.634  -3.489
  228   HD12  LEU  37          2HD1      LEU  37   6.606   6.325  -1.983
  229   HD13  LEU  37          3HD1      LEU  37   6.431   5.218  -3.346
  230   HD21  LEU  37          3HD2      LEU  37   8.238   3.678  -3.950
  231   HD22  LEU  37          1HD2      LEU  37   9.771   3.705  -3.078
  232   HD23  LEU  37          2HD2      LEU  37   9.353   5.026  -4.169
  Start of MODEL   11
    1    H1   PCA   1           H1       PCA   1 -10.266   7.008   4.196
    2    HA   PCA   1           HA       PCA   1 -10.428   4.651   3.905
    3    HB2  PCA   1           3HB      PCA   1 -12.617   4.588   2.923
    4    HB3  PCA   1           2HB      PCA   1 -11.712   4.341   1.380
    5    HG2  PCA   1           3HG      PCA   1 -13.694   5.945   2.922
    6    HG3  PCA   1           2HG      PCA   1 -13.003   6.457   1.361
    7    H    GLY   2           H        GLY   2  -8.800   3.457   3.039
    8    HA2  GLY   2           2HA      GLY   2  -7.409   2.689   1.267
    9    HA3  GLY   2           3HA      GLY   2  -7.612   4.239   0.468
   10    H    CYS   3           H        CYS   3  -6.529   3.207   3.702
   11    HA   CYS   3           HA       CYS   3  -3.948   4.519   3.236
   12    HB2  CYS   3           2HB      CYS   3  -5.773   5.892   4.606
   13    HB3  CYS   3           3HB      CYS   3  -5.214   4.867   5.921
   14    H    ALA   4           H        ALA   4  -2.495   2.967   3.466
   15    HA   ALA   4           HA       ALA   4  -2.845   0.988   5.622
   16    HB1  ALA   4           3HB      ALA   4  -2.844   0.286   3.101
   17    HB2  ALA   4           1HB      ALA   4  -1.986  -0.683   4.300
   18    HB3  ALA   4           2HB      ALA   4  -1.095   0.437   3.273
   19    H    PHE   5           H        PHE   5  -1.028   0.390   6.839
   20    HA   PHE   5           HA       PHE   5   1.054   2.436   6.991
   21    HB2  PHE   5           2HB      PHE   5  -0.376   1.439   8.970
   22    HB3  PHE   5           3HB      PHE   5   0.819   0.149   8.921
   23    HD1  PHE   5           HD1      PHE   5   0.313   3.750   9.514
   24    HD2  PHE   5           HD2      PHE   5   3.022   0.476   9.753
   25    HE1  PHE   5           HE1      PHE   5   1.823   5.106  10.903
   26    HE2  PHE   5           HE2      PHE   5   4.538   1.827  11.141
   27    HZ   PHE   5           HZ       PHE   5   3.939   4.145  11.719
   28    H    GLU   6           H        GLU   6   3.324   1.596   7.596
   29    HA   GLU   6           HA       GLU   6   4.352   0.056   5.469
   30    HB2  GLU   6           2HB      GLU   6   5.559   1.804   6.892
   31    HB3  GLU   6           3HB      GLU   6   5.796   0.530   8.074
   32    HG2  GLU   6           2HG      GLU   6   6.941  -0.787   6.262
   33    HG3  GLU   6           3HG      GLU   6   6.867   0.664   5.265
   34    H    GLY   7           H        GLY   7   4.926  -2.018   5.256
   35    HA2  GLY   7           2HA      GLY   7   5.318  -4.248   5.825
   36    HA3  GLY   7           3HA      GLY   7   4.953  -3.860   7.499
   37    H    GLU   8           H        GLU   8   2.447  -2.564   5.918
   38    HA   GLU   8           HA       GLU   8   0.733  -4.880   6.400
   39    HB2  GLU   8           2HB      GLU   8   0.350  -2.427   7.244
   40    HB3  GLU   8           3HB      GLU   8  -0.272  -2.157   5.623
   41    HG2  GLU   8           2HG      GLU   8  -1.947  -3.880   5.952
   42    HG3  GLU   8           3HG      GLU   8  -1.302  -4.224   7.556
   43    H    SER   9           H        SER   9  -0.936  -5.461   4.866
   44    HA   SER   9           HA       SER   9   0.013  -5.260   2.108
   45    HB2  SER   9           2HB      SER   9  -2.028  -7.119   3.353
   46    HB3  SER   9           3HB      SER   9  -1.495  -7.173   1.672
   47    HG   SER   9           HG       SER   9  -0.108  -7.857   4.010
   48    H    CYS  10           H        CYS  10  -0.844  -3.780   0.840
   49    HA   CYS  10           HA       CYS  10  -3.680  -3.060   1.195
   50    HB2  CYS  10           2HB      CYS  10  -3.240  -0.818   0.813
   51    HB3  CYS  10           3HB      CYS  10  -1.797  -1.305   1.693
   52    H    ASN  11           H        ASN  11  -4.864  -2.532  -0.713
   53    HA   ASN  11           HA       ASN  11  -3.926  -3.972  -3.084
   54    HB2  ASN  11           2HB      ASN  11  -6.724  -3.008  -2.495
   55    HB3  ASN  11           3HB      ASN  11  -6.235  -4.115  -3.769
   56   HD21  ASN  11          1HD2      ASN  11  -6.460  -3.728  -0.286
   57   HD22  ASN  11          2HD2      ASN  11  -6.621  -5.410   0.079
   58    H    VAL  12           H        VAL  12  -3.718  -2.983  -5.047
   59    HA   VAL  12           HA       VAL  12  -3.751  -0.067  -4.974
   60    HB   VAL  12           HB       VAL  12  -2.473  -0.114  -7.064
   61   HG11  VAL  12          1HG1      VAL  12  -1.230  -0.156  -5.001
   62   HG12  VAL  12          2HG1      VAL  12  -0.414  -1.171  -6.192
   63   HG13  VAL  12          3HG1      VAL  12  -1.373  -1.912  -4.910
   64   HG21  VAL  12          3HG2      VAL  12  -3.534  -2.272  -7.894
   65   HG22  VAL  12          1HG2      VAL  12  -2.366  -3.115  -6.876
   66   HG23  VAL  12          2HG2      VAL  12  -1.804  -2.079  -8.189
   67    H    GLU  13           H        GLU  13  -6.177  -1.836  -5.236
   68    HA   GLU  13           HA       GLU  13  -7.218  -0.853  -7.809
   69    HB2  GLU  13           2HB      GLU  13  -8.109  -3.200  -6.127
   70    HB3  GLU  13           3HB      GLU  13  -8.869  -2.693  -7.625
   71    HG2  GLU  13           2HG      GLU  13  -5.969  -3.455  -7.546
   72    HG3  GLU  13           3HG      GLU  13  -7.236  -4.678  -7.651
   73    H    PHE  14           H        PHE  14  -7.733  -0.967  -4.342
   74    HA   PHE  14           HA       PHE  14  -9.813   1.059  -4.549
   75    HB2  PHE  14           2HB      PHE  14 -11.223  -0.323  -2.848
   76    HB3  PHE  14           3HB      PHE  14 -11.292  -0.748  -4.552
   77    HD1  PHE  14           HD2      PHE  14 -10.235  -2.768  -5.384
   78    HD2  PHE  14           HD1      PHE  14 -10.201  -1.797  -1.247
   79    HE1  PHE  14           HE2      PHE  14  -9.507  -5.056  -4.860
   80    HE2  PHE  14           HE1      PHE  14  -9.465  -4.081  -0.712
   81    HZ   PHE  14           HZ       PHE  14  -9.107  -5.700  -2.525
   82    H    TYR  15           H        TYR  15  -7.918  -0.989  -2.327
   83    HA   TYR  15           HA       TYR  15  -7.820   1.271  -0.436
   84    HB2  TYR  15           2HB      TYR  15  -8.952  -0.934   0.285
   85    HB3  TYR  15           3HB      TYR  15  -7.327  -1.594   0.340
   86    HD1  TYR  15           HD1      TYR  15  -5.668  -0.650   1.991
   87    HD2  TYR  15           HD2      TYR  15  -9.779   0.469   2.014
   88    HE1  TYR  15           HE1      TYR  15  -5.415   0.214   4.275
   89    HE2  TYR  15           HE2      TYR  15  -9.530   1.340   4.299
   90    HH   TYR  15           HH       TYR  15  -8.058   1.023   6.241
   91    HA   PRO  16           HA       PRO  16  -3.439   0.587  -1.979
   92    HB2  PRO  16           2HB      PRO  16  -2.865   3.201  -2.477
   93    HB3  PRO  16           3HB      PRO  16  -3.698   2.170  -3.656
   94    HG2  PRO  16           2HG      PRO  16  -4.845   4.179  -1.773
   95    HG3  PRO  16           3HG      PRO  16  -5.232   3.886  -3.480
   96    HD2  PRO  16           2HD      PRO  16  -6.762   2.938  -1.454
   97    HD3  PRO  16           3HD      PRO  16  -6.592   2.102  -3.006
   98    H    CYS  17           H        CYS  17  -1.422   2.157  -1.255
   99    HA   CYS  17           HA       CYS  17  -1.272   1.910   1.574
  100    HB2  CYS  17           2HB      CYS  17   0.581   3.174  -0.454
  101    HB3  CYS  17           3HB      CYS  17   0.959   3.059   1.257
  102    H    CYS  18           H        CYS  18  -0.083   4.016   2.699
  103    HA   CYS  18           HA       CYS  18  -2.169   6.013   2.790
  104    HB2  CYS  18           2HB      CYS  18   0.223   5.383   4.477
  105    HB3  CYS  18           3HB      CYS  18  -0.552   6.957   4.620
  106    HA   PRO  19           HA       PRO  19   0.192   8.673   0.011
  107    HB2  PRO  19           2HB      PRO  19  -1.717  10.560  -0.358
  108    HB3  PRO  19           3HB      PRO  19  -1.789   8.971  -1.140
  109    HG2  PRO  19           2HG      PRO  19  -3.298   9.987   1.204
  110    HG3  PRO  19           3HG      PRO  19  -3.813   8.884  -0.085
  111    HD2  PRO  19           2HD      PRO  19  -3.028   8.101   2.455
  112    HD3  PRO  19           3HD      PRO  19  -3.065   7.051   1.026
  113    H    GLY  20           H        GLY  20   1.134  10.769   0.037
  114    HA2  GLY  20           2HA      GLY  20   1.650  12.871   0.975
  115    HA3  GLY  20           3HA      GLY  20   0.730  12.436   2.406
  116    H    LEU  21           H        LEU  21   2.060   9.847   2.717
  117    HA   LEU  21           HA       LEU  21   4.397  10.761   4.153
  118    HB2  LEU  21           2HB      LEU  21   3.376   7.935   3.904
  119    HB3  LEU  21           3HB      LEU  21   4.450   8.563   5.129
  120    HG   LEU  21           HG       LEU  21   1.584   9.472   4.849
  121   HD11  LEU  21          1HD1      LEU  21   1.011   7.921   6.613
  122   HD12  LEU  21          2HD1      LEU  21   2.670   7.322   6.660
  123   HD13  LEU  21          3HD1      LEU  21   1.674   7.049   5.231
  124   HD21  LEU  21          3HD2      LEU  21   1.878  10.179   7.182
  125   HD22  LEU  21          1HD2      LEU  21   3.029  10.980   6.113
  126   HD23  LEU  21          2HD2      LEU  21   3.557   9.642   7.133
  127    H    GLY  22           H        GLY  22   3.828   8.092   1.825
  128    HA2  GLY  22           2HA      GLY  22   5.357   8.295  -0.211
  129    HA3  GLY  22           3HA      GLY  22   6.643   8.340   0.981
  130    H    LEU  23           H        LEU  23   3.759   6.291   1.149
  131    HA   LEU  23           HA       LEU  23   5.479   3.939   1.293
  132    HB2  LEU  23           2HB      LEU  23   2.565   4.442   1.862
  133    HB3  LEU  23           3HB      LEU  23   3.156   2.810   1.670
  134    HG   LEU  23           HG       LEU  23   2.923   3.405   4.021
  135   HD11  LEU  23          1HD1      LEU  23   5.863   3.220   3.464
  136   HD12  LEU  23          2HD1      LEU  23   4.758   1.868   3.221
  137   HD13  LEU  23          3HD1      LEU  23   4.954   2.569   4.826
  138   HD21  LEU  23          3HD2      LEU  23   4.826   5.626   3.362
  139   HD22  LEU  23          1HD2      LEU  23   4.573   5.040   5.007
  140   HD23  LEU  23          2HD2      LEU  23   3.227   5.725   4.099
  141    H    THR  24           H        THR  24   5.076   2.031   0.077
  142    HA   THR  24           HA       THR  24   3.521   2.277  -2.382
  143    HB   THR  24           HB       THR  24   5.724   3.008  -3.101
  144    HG1  THR  24           HG1      THR  24   5.163   0.335  -3.908
  145   HG21  THR  24          3HG2      THR  24   7.682   1.434  -2.997
  146   HG22  THR  24          1HG2      THR  24   6.751   0.448  -1.866
  147   HG23  THR  24          2HG2      THR  24   7.195   2.101  -1.438
  148    H    CYS  25           H        CYS  25   2.427   0.447  -2.827
  149    HA   CYS  25           HA       CYS  25   2.826  -1.864  -1.119
  150    HB2  CYS  25           2HB      CYS  25   0.638  -0.728  -2.601
  151    HB3  CYS  25           3HB      CYS  25   0.833  -2.422  -3.032
  152    H    ILE  26           H        ILE  26   3.971  -3.591  -1.635
  153    HA   ILE  26           HA       ILE  26   4.558  -4.122  -4.472
  154    HB   ILE  26           HB       ILE  26   6.453  -4.601  -2.163
  155   HG12  ILE  26          2HG1      ILE  26   6.187  -2.188  -2.541
  156   HG13  ILE  26          3HG1      ILE  26   7.792  -2.720  -3.000
  157   HG21  ILE  26          1HG2      ILE  26   8.120  -5.189  -3.755
  158   HG22  ILE  26          2HG2      ILE  26   7.079  -4.731  -5.105
  159   HG23  ILE  26          3HG2      ILE  26   6.676  -6.138  -4.121
  160   HD11  ILE  26          3HD1      ILE  26   7.091  -2.659  -5.375
  161   HD12  ILE  26          1HD1      ILE  26   6.969  -1.089  -4.579
  162   HD13  ILE  26          2HD1      ILE  26   5.518  -2.048  -4.867
  163    HA   PRO  27           HA       PRO  27   4.612  -5.523  -5.986
  164    HB2  PRO  27           2HB      PRO  27   2.783  -6.970  -7.350
  165    HB3  PRO  27           3HB      PRO  27   4.365  -7.617  -6.887
  166    HG2  PRO  27           2HG      PRO  27   1.713  -8.049  -5.604
  167    HG3  PRO  27           3HG      PRO  27   3.011  -9.216  -5.925
  168    HD2  PRO  27           2HD      PRO  27   2.602  -8.089  -3.483
  169    HD3  PRO  27           3HD      PRO  27   4.196  -8.614  -4.057
  170    H    GLY  28           H        GLY  28   1.473  -5.970  -4.440
  171    HA2  GLY  28           2HA      GLY  28  -0.028  -4.167  -4.056
  172    HA3  GLY  28           3HA      GLY  28   0.617  -3.357  -5.476
  173    H    ASN  29           H        ASN  29   0.375  -5.980  -7.007
  174    HA   ASN  29           HA       ASN  29  -2.537  -5.821  -7.467
  175    HB2  ASN  29           2HB      ASN  29  -0.278  -6.352  -9.407
  176    HB3  ASN  29           3HB      ASN  29  -1.971  -6.614  -9.810
  177   HD21  ASN  29          1HD2      ASN  29  -3.339  -4.846 -10.040
  178   HD22  ASN  29          2HD2      ASN  29  -2.734  -3.242 -10.253
  179    HA   PRO  30           HA       PRO  30  -4.403  -6.852  -7.250
  180    HB2  PRO  30           2HB      PRO  30  -5.692  -8.180  -5.250
  181    HB3  PRO  30           3HB      PRO  30  -5.755  -8.693  -6.946
  182    HG2  PRO  30           2HG      PRO  30  -4.091  -9.761  -4.719
  183    HG3  PRO  30           3HG      PRO  30  -4.960 -10.632  -5.998
  184    HD2  PRO  30           2HD      PRO  30  -2.294 -10.190  -6.098
  185    HD3  PRO  30           3HD      PRO  30  -3.306 -10.278  -7.552
  186    H    ASP  31           H        ASP  31  -2.299  -7.876  -4.643
  187    HA   ASP  31           HA       ASP  31  -2.400  -5.245  -3.445
  188    HB2  ASP  31           2HB      ASP  31  -2.783  -6.169  -1.126
  189    HB3  ASP  31           3HB      ASP  31  -4.197  -6.182  -2.169
  190    H    GLY  32           H        GLY  32  -0.650  -4.798  -2.060
  191    HA2  GLY  32           2HA      GLY  32   1.446  -6.852  -1.876
  192    HA3  GLY  32           3HA      GLY  32   1.827  -5.310  -2.627
  193    H    THR  33           H        THR  33   3.482  -5.396  -0.849
  194    HA   THR  33           HA       THR  33   2.420  -4.618   1.763
  195    HB   THR  33           HB       THR  33   5.039  -4.670   2.237
  196    HG1  THR  33           HG1      THR  33   5.212  -6.870   0.681
  197   HG21  THR  33          3HG2      THR  33   4.774  -6.992   2.984
  198   HG22  THR  33          1HG2      THR  33   3.296  -7.123   2.030
  199   HG23  THR  33          2HG2      THR  33   3.368  -6.010   3.396
  200    H    CYS  34           H        CYS  34   2.619  -2.671   2.616
  201    HA   CYS  34           HA       CYS  34   3.426  -0.491   0.913
  202    HB2  CYS  34           2HB      CYS  34   2.233  -0.624   3.681
  203    HB3  CYS  34           3HB      CYS  34   2.691   0.897   2.922
  204    H    TYR  35           H        TYR  35   5.477  -0.087   0.682
  205    HA   TYR  35           HA       TYR  35   7.257  -0.087   3.026
  206    HB2  TYR  35           2HB      TYR  35   7.781  -0.647   0.115
  207    HB3  TYR  35           3HB      TYR  35   9.086  -0.184   1.201
  208    HD1  TYR  35           HD2      TYR  35   9.406  -1.620   3.319
  209    HD2  TYR  35           HD1      TYR  35   7.133  -2.889  -0.051
  210    HE1  TYR  35           HE2      TYR  35   9.636  -3.947   4.050
  211    HE2  TYR  35           HE1      TYR  35   7.355  -5.224   0.677
  212    HH   TYR  35           HH       TYR  35   8.863  -6.588   2.063
  213    H    TYR  36           H        TYR  36   8.679   1.632   3.339
  214    HA   TYR  36           HA       TYR  36   7.699   4.178   2.394
  215    HB2  TYR  36           2HB      TYR  36   9.478   3.241   4.522
  216    HB3  TYR  36           3HB      TYR  36  10.028   4.731   3.764
  217    HD1  TYR  36           HD2      TYR  36   8.274   6.643   3.564
  218    HD2  TYR  36           HD1      TYR  36   7.852   3.320   6.190
  219    HE1  TYR  36           HE2      TYR  36   6.681   7.927   4.923
  220    HE2  TYR  36           HE1      TYR  36   6.255   4.597   7.554
  221    HH   TYR  36           HH       TYR  36   5.688   6.944   8.015
  222    H    LEU  37           H        LEU  37   8.452   5.389   0.806
  223    HA   LEU  37           HA       LEU  37  10.578   4.401  -0.870
  224    HB2  LEU  37           2HB      LEU  37   8.756   6.792  -1.117
  225    HB3  LEU  37           3HB      LEU  37   9.975   6.380  -2.305
  226    HG   LEU  37           HG       LEU  37   7.921   4.328  -1.589
  227   HD11  LEU  37          1HD1      LEU  37   7.464   6.649  -3.459
  228   HD12  LEU  37          2HD1      LEU  37   6.609   6.338  -1.948
  229   HD13  LEU  37          3HD1      LEU  37   6.424   5.232  -3.309
  230   HD21  LEU  37          3HD2      LEU  37   8.232   3.700  -3.934
  231   HD22  LEU  37          1HD2      LEU  37   9.769   3.725  -3.069
  232   HD23  LEU  37          2HD2      LEU  37   9.344   5.050  -4.152
  Start of MODEL   12
    1    H1   PCA   1           H1       PCA   1 -10.399   2.479   3.331
    2    HA   PCA   1           HA       PCA   1 -11.728   4.543   2.290
    3    HB2  PCA   1           3HB      PCA   1 -11.414   6.052   4.127
    4    HB3  PCA   1           2HB      PCA   1  -9.853   6.437   3.304
    5    HG2  PCA   1           3HG      PCA   1 -11.254   5.521   5.769
    6    HG3  PCA   1           2HG      PCA   1  -9.488   5.430   5.538
    7    H    GLY   2           H        GLY   2  -8.406   3.585   3.046
    8    HA2  GLY   2           2HA      GLY   2  -7.209   2.846   0.917
    9    HA3  GLY   2           3HA      GLY   2  -7.508   4.492   0.388
   10    H    CYS   3           H        CYS   3  -6.511   3.278   3.571
   11    HA   CYS   3           HA       CYS   3  -3.893   4.554   3.232
   12    HB2  CYS   3           2HB      CYS   3  -5.765   5.920   4.550
   13    HB3  CYS   3           3HB      CYS   3  -5.246   4.882   5.872
   14    H    ALA   4           H        ALA   4  -2.483   2.971   3.466
   15    HA   ALA   4           HA       ALA   4  -2.878   1.010   5.631
   16    HB1  ALA   4           3HB      ALA   4  -1.145   0.407   3.277
   17    HB2  ALA   4           1HB      ALA   4  -2.897   0.269   3.126
   18    HB3  ALA   4           2HB      ALA   4  -2.036  -0.692   4.329
   19    H    PHE   5           H        PHE   5  -1.063   0.392   6.853
   20    HA   PHE   5           HA       PHE   5   1.032   2.420   6.997
   21    HB2  PHE   5           2HB      PHE   5   0.205   0.187   8.859
   22    HB3  PHE   5           3HB      PHE   5   1.618   1.196   9.145
   23    HD1  PHE   5           HD2      PHE   5  -2.033   1.072   9.097
   24    HD2  PHE   5           HD1      PHE   5   1.382   3.512   9.801
   25    HE1  PHE   5           HE2      PHE   5  -3.458   2.737  10.217
   26    HE2  PHE   5           HE1      PHE   5  -0.036   5.179  10.924
   27    HZ   PHE   5           HZ       PHE   5  -2.459   4.793  11.132
   28    H    GLU   6           H        GLU   6   3.301   1.576   7.609
   29    HA   GLU   6           HA       GLU   6   4.331   0.054   5.464
   30    HB2  GLU   6           2HB      GLU   6   5.535   1.805   6.885
   31    HB3  GLU   6           3HB      GLU   6   5.780   0.532   8.068
   32    HG2  GLU   6           2HG      GLU   6   6.911  -0.781   6.230
   33    HG3  GLU   6           3HG      GLU   6   6.860   0.695   5.266
   34    H    GLY   7           H        GLY   7   4.918  -2.019   5.249
   35    HA2  GLY   7           2HA      GLY   7   5.322  -4.247   5.815
   36    HA3  GLY   7           3HA      GLY   7   4.960  -3.863   7.490
   37    H    GLU   8           H        GLU   8   2.445  -2.581   5.906
   38    HA   GLU   8           HA       GLU   8   0.744  -4.905   6.395
   39    HB2  GLU   8           2HB      GLU   8   0.348  -2.457   7.242
   40    HB3  GLU   8           3HB      GLU   8  -0.271  -2.186   5.620
   41    HG2  GLU   8           2HG      GLU   8  -1.943  -3.915   5.943
   42    HG3  GLU   8           3HG      GLU   8  -1.299  -4.261   7.547
   43    H    SER   9           H        SER   9  -0.939  -5.480   4.863
   44    HA   SER   9           HA       SER   9   0.011  -5.284   2.103
   45    HB2  SER   9           2HB      SER   9  -0.411  -7.534   3.126
   46    HB3  SER   9           3HB      SER   9  -2.121  -7.118   3.229
   47    HG   SER   9           HG       SER   9  -2.087  -6.864   0.935
   48    H    CYS  10           H        CYS  10  -0.846  -3.793   0.848
   49    HA   CYS  10           HA       CYS  10  -3.681  -3.072   1.206
   50    HB2  CYS  10           2HB      CYS  10  -3.236  -0.831   0.836
   51    HB3  CYS  10           3HB      CYS  10  -1.785  -1.323   1.698
   52    H    ASN  11           H        ASN  11  -4.870  -2.550  -0.698
   53    HA   ASN  11           HA       ASN  11  -3.928  -3.981  -3.074
   54    HB2  ASN  11           2HB      ASN  11  -6.730  -3.029  -2.480
   55    HB3  ASN  11           3HB      ASN  11  -6.237  -4.133  -3.756
   56   HD21  ASN  11          1HD2      ASN  11  -6.448  -3.748  -0.271
   57   HD22  ASN  11          2HD2      ASN  11  -6.606  -5.431   0.094
   58    H    VAL  12           H        VAL  12  -3.728  -2.984  -5.035
   59    HA   VAL  12           HA       VAL  12  -3.772  -0.068  -4.951
   60    HB   VAL  12           HB       VAL  12  -2.494  -0.101  -7.042
   61   HG11  VAL  12          1HG1      VAL  12  -1.383  -1.907  -4.898
   62   HG12  VAL  12          2HG1      VAL  12  -1.254  -0.149  -4.972
   63   HG13  VAL  12          3HG1      VAL  12  -0.430  -1.148  -6.173
   64   HG21  VAL  12          3HG2      VAL  12  -2.377  -3.103  -6.863
   65   HG22  VAL  12          1HG2      VAL  12  -1.812  -2.060  -8.170
   66   HG23  VAL  12          2HG2      VAL  12  -3.544  -2.260  -7.882
   67    H    GLU  13           H        GLU  13  -6.188  -1.851  -5.221
   68    HA   GLU  13           HA       GLU  13  -7.238  -0.856  -7.786
   69    HB2  GLU  13           2HB      GLU  13  -8.111  -3.224  -6.123
   70    HB3  GLU  13           3HB      GLU  13  -8.875  -2.710  -7.616
   71    HG2  GLU  13           2HG      GLU  13  -5.970  -3.450  -7.546
   72    HG3  GLU  13           3HG      GLU  13  -7.227  -4.683  -7.658
   73    H    PHE  14           H        PHE  14  -7.747  -0.999  -4.319
   74    HA   PHE  14           HA       PHE  14  -9.844   1.013  -4.509
   75    HB2  PHE  14           2HB      PHE  14 -11.242  -0.392  -2.817
   76    HB3  PHE  14           3HB      PHE  14 -11.309  -0.804  -4.525
   77    HD1  PHE  14           HD1      PHE  14 -10.238  -2.810  -5.375
   78    HD2  PHE  14           HD2      PHE  14 -10.209  -1.872  -1.231
   79    HE1  PHE  14           HE1      PHE  14  -9.491  -5.097  -4.868
   80    HE2  PHE  14           HE2      PHE  14  -9.463  -4.157  -0.712
   81    HZ   PHE  14           HZ       PHE  14  -9.088  -5.758  -2.539
   82    H    TYR  15           H        TYR  15  -7.924  -1.036  -2.310
   83    HA   TYR  15           HA       TYR  15  -7.850   1.208  -0.397
   84    HB2  TYR  15           2HB      TYR  15  -8.954  -1.016   0.304
   85    HB3  TYR  15           3HB      TYR  15  -7.321  -1.659   0.350
   86    HD1  TYR  15           HD1      TYR  15  -5.656  -0.650   1.985
   87    HD2  TYR  15           HD2      TYR  15  -9.809   0.297   2.073
   88    HE1  TYR  15           HE1      TYR  15  -5.411   0.191   4.279
   89    HE2  TYR  15           HE2      TYR  15  -9.569   1.145   4.367
   90    HH   TYR  15           HH       TYR  15  -8.059   0.861   6.288
   91    HA   PRO  16           HA       PRO  16  -3.460   0.591  -1.955
   92    HB2  PRO  16           2HB      PRO  16  -2.920   3.214  -2.437
   93    HB3  PRO  16           3HB      PRO  16  -3.748   2.183  -3.620
   94    HG2  PRO  16           2HG      PRO  16  -4.910   4.162  -1.713
   95    HG3  PRO  16           3HG      PRO  16  -5.299   3.883  -3.422
   96    HD2  PRO  16           2HD      PRO  16  -6.813   2.897  -1.405
   97    HD3  PRO  16           3HD      PRO  16  -6.634   2.076  -2.965
   98    H    CYS  17           H        CYS  17  -1.457   2.165  -1.227
   99    HA   CYS  17           HA       CYS  17  -1.306   1.917   1.605
  100    HB2  CYS  17           2HB      CYS  17   0.552   3.187  -0.417
  101    HB3  CYS  17           3HB      CYS  17   0.929   3.052   1.292
  102    H    CYS  18           H        CYS  18  -0.087   4.040   2.700
  103    HA   CYS  18           HA       CYS  18  -2.174   6.042   2.792
  104    HB2  CYS  18           2HB      CYS  18   0.213   5.405   4.486
  105    HB3  CYS  18           3HB      CYS  18  -0.566   6.979   4.629
  106    HA   PRO  19           HA       PRO  19   0.215   8.686   0.021
  107    HB2  PRO  19           2HB      PRO  19  -1.679  10.586  -0.354
  108    HB3  PRO  19           3HB      PRO  19  -1.760   8.997  -1.135
  109    HG2  PRO  19           2HG      PRO  19  -3.266  10.025   1.205
  110    HG3  PRO  19           3HG      PRO  19  -3.789   8.929  -0.087
  111    HD2  PRO  19           2HD      PRO  19  -3.018   8.134   2.453
  112    HD3  PRO  19           3HD      PRO  19  -3.056   7.087   1.021
  113    H    GLY  20           H        GLY  20   1.151  10.794   0.045
  114    HA2  GLY  20           2HA      GLY  20   1.680  12.885   0.991
  115    HA3  GLY  20           3HA      GLY  20   0.756  12.451   2.420
  116    H    LEU  21           H        LEU  21   2.069   9.859   2.736
  117    HA   LEU  21           HA       LEU  21   4.409  10.756   4.176
  118    HB2  LEU  21           2HB      LEU  21   3.377   7.935   3.912
  119    HB3  LEU  21           3HB      LEU  21   4.453   8.553   5.140
  120    HG   LEU  21           HG       LEU  21   1.591   9.472   4.865
  121   HD11  LEU  21          1HD1      LEU  21   2.674   7.307   6.661
  122   HD12  LEU  21          2HD1      LEU  21   1.669   7.050   5.236
  123   HD13  LEU  21          3HD1      LEU  21   1.019   7.916   6.627
  124   HD21  LEU  21          3HD2      LEU  21   3.040  10.970   6.136
  125   HD22  LEU  21          1HD2      LEU  21   3.565   9.626   7.149
  126   HD23  LEU  21          2HD2      LEU  21   1.888  10.168   7.202
  127    H    GLY  22           H        GLY  22   3.832   8.104   1.832
  128    HA2  GLY  22           2HA      GLY  22   5.363   8.305  -0.200
  129    HA3  GLY  22           3HA      GLY  22   6.649   8.344   0.994
  130    H    LEU  23           H        LEU  23   3.758   6.301   1.149
  131    HA   LEU  23           HA       LEU  23   5.472   3.947   1.294
  132    HB2  LEU  23           2HB      LEU  23   2.558   4.452   1.859
  133    HB3  LEU  23           3HB      LEU  23   3.148   2.820   1.664
  134    HG   LEU  23           HG       LEU  23   2.913   3.410   4.017
  135   HD11  LEU  23          1HD1      LEU  23   4.745   1.869   3.213
  136   HD12  LEU  23          2HD1      LEU  23   4.940   2.565   4.820
  137   HD13  LEU  23          3HD1      LEU  23   5.853   3.218   3.461
  138   HD21  LEU  23          3HD2      LEU  23   3.225   5.727   4.110
  139   HD22  LEU  23          1HD2      LEU  23   4.818   5.630   3.360
  140   HD23  LEU  23          2HD2      LEU  23   4.578   5.036   5.003
  141    H    THR  24           H        THR  24   5.069   2.042   0.077
  142    HA   THR  24           HA       THR  24   3.518   2.287  -2.385
  143    HB   THR  24           HB       THR  24   5.723   3.020  -3.099
  144    HG1  THR  24           HG1      THR  24   6.143   0.796  -4.364
  145   HG21  THR  24          3HG2      THR  24   6.747   0.454  -1.873
  146   HG22  THR  24          1HG2      THR  24   7.188   2.104  -1.432
  147   HG23  THR  24          2HG2      THR  24   7.681   1.447  -2.994
  148    H    CYS  25           H        CYS  25   2.421   0.457  -2.824
  149    HA   CYS  25           HA       CYS  25   2.825  -1.854  -1.117
  150    HB2  CYS  25           2HB      CYS  25   0.635  -0.720  -2.592
  151    HB3  CYS  25           3HB      CYS  25   0.831  -2.410  -3.032
  152    H    ILE  26           H        ILE  26   3.970  -3.581  -1.635
  153    HA   ILE  26           HA       ILE  26   4.554  -4.109  -4.472
  154    HB   ILE  26           HB       ILE  26   6.455  -4.592  -2.169
  155   HG12  ILE  26          2HG1      ILE  26   6.188  -2.179  -2.532
  156   HG13  ILE  26          3HG1      ILE  26   7.790  -2.706  -3.007
  157   HG21  ILE  26          1HG2      ILE  26   6.688  -6.126  -4.117
  158   HG22  ILE  26          2HG2      ILE  26   8.122  -5.154  -3.780
  159   HG23  ILE  26          3HG2      ILE  26   7.057  -4.720  -5.119
  160   HD11  ILE  26          3HD1      ILE  26   6.961  -1.070  -4.573
  161   HD12  ILE  26          1HD1      ILE  26   5.499  -2.019  -4.848
  162   HD13  ILE  26          2HD1      ILE  26   7.063  -2.636  -5.377
  163    HA   PRO  27           HA       PRO  27   4.610  -5.508  -5.988
  164    HB2  PRO  27           2HB      PRO  27   2.780  -6.955  -7.353
  165    HB3  PRO  27           3HB      PRO  27   4.366  -7.601  -6.893
  166    HG2  PRO  27           2HG      PRO  27   1.715  -8.039  -5.608
  167    HG3  PRO  27           3HG      PRO  27   3.015  -9.203  -5.932
  168    HD2  PRO  27           2HD      PRO  27   2.606  -8.080  -3.488
  169    HD3  PRO  27           3HD      PRO  27   4.200  -8.602  -4.064
  170    H    GLY  28           H        GLY  28   1.474  -5.957  -4.438
  171    HA2  GLY  28           2HA      GLY  28  -0.030  -4.158  -4.051
  172    HA3  GLY  28           3HA      GLY  28   0.614  -3.345  -5.469
  173    H    ASN  29           H        ASN  29   0.376  -5.960  -7.009
  174    HA   ASN  29           HA       ASN  29  -2.538  -5.810  -7.464
  175    HB2  ASN  29           2HB      ASN  29  -0.279  -6.325  -9.410
  176    HB3  ASN  29           3HB      ASN  29  -1.971  -6.592  -9.811
  177   HD21  ASN  29          1HD2      ASN  29   0.477  -4.230  -9.123
  178   HD22  ASN  29          2HD2      ASN  29  -0.405  -2.855  -9.682
  179    HA   PRO  30           HA       PRO  30  -4.401  -6.848  -7.252
  180    HB2  PRO  30           2HB      PRO  30  -5.683  -8.189  -5.255
  181    HB3  PRO  30           3HB      PRO  30  -5.747  -8.694  -6.955
  182    HG2  PRO  30           2HG      PRO  30  -4.076  -9.764  -4.732
  183    HG3  PRO  30           3HG      PRO  30  -4.944 -10.635  -6.013
  184    HD2  PRO  30           2HD      PRO  30  -2.280 -10.183  -6.116
  185    HD3  PRO  30           3HD      PRO  30  -3.294 -10.268  -7.568
  186    H    ASP  31           H        ASP  31  -2.293  -7.873  -4.650
  187    HA   ASP  31           HA       ASP  31  -2.400  -5.246  -3.445
  188    HB2  ASP  31           2HB      ASP  31  -2.778  -6.180  -1.126
  189    HB3  ASP  31           3HB      ASP  31  -4.193  -6.190  -2.169
  190    H    GLY  32           H        GLY  32  -0.651  -4.800  -2.057
  191    HA2  GLY  32           2HA      GLY  32   1.449  -6.849  -1.878
  192    HA3  GLY  32           3HA      GLY  32   1.827  -5.306  -2.629
  193    H    THR  33           H        THR  33   3.483  -5.387  -0.853
  194    HA   THR  33           HA       THR  33   2.422  -4.614   1.761
  195    HB   THR  33           HB       THR  33   5.043  -4.661   2.230
  196    HG1  THR  33           HG1      THR  33   5.031  -6.848   0.535
  197   HG21  THR  33          3HG2      THR  33   4.778  -6.981   2.987
  198   HG22  THR  33          1HG2      THR  33   3.298  -7.115   2.036
  199   HG23  THR  33          2HG2      THR  33   3.373  -5.996   3.398
  200    H    CYS  34           H        CYS  34   2.614  -2.666   2.612
  201    HA   CYS  34           HA       CYS  34   3.420  -0.484   0.910
  202    HB2  CYS  34           2HB      CYS  34   2.236  -0.612   3.684
  203    HB3  CYS  34           3HB      CYS  34   2.681   0.905   2.913
  204    H    TYR  35           H        TYR  35   5.471  -0.083   0.678
  205    HA   TYR  35           HA       TYR  35   7.254  -0.086   3.020
  206    HB2  TYR  35           2HB      TYR  35   7.773  -0.643   0.108
  207    HB3  TYR  35           3HB      TYR  35   9.080  -0.181   1.192
  208    HD1  TYR  35           HD2      TYR  35   9.404  -1.618   3.308
  209    HD2  TYR  35           HD1      TYR  35   7.124  -2.885  -0.058
  210    HE1  TYR  35           HE2      TYR  35   9.636  -3.945   4.037
  211    HE2  TYR  35           HE1      TYR  35   7.347  -5.220   0.669
  212    HH   TYR  35           HH       TYR  35   8.853  -6.586   2.049
  213    H    TYR  36           H        TYR  36   8.674   1.633   3.336
  214    HA   TYR  36           HA       TYR  36   7.694   4.179   2.397
  215    HB2  TYR  36           2HB      TYR  36   9.479   3.239   4.518
  216    HB3  TYR  36           3HB      TYR  36  10.025   4.731   3.762
  217    HD1  TYR  36           HD2      TYR  36   8.273   6.643   3.573
  218    HD2  TYR  36           HD1      TYR  36   7.850   3.308   6.184
  219    HE1  TYR  36           HE2      TYR  36   6.681   7.921   4.939
  220    HE2  TYR  36           HE1      TYR  36   6.254   4.579   7.555
  221    HH   TYR  36           HH       TYR  36   4.844   7.480   6.527
  222    H    LEU  37           H        LEU  37   8.447   5.399   0.814
  223    HA   LEU  37           HA       LEU  37  10.569   4.414  -0.871
  224    HB2  LEU  37           2HB      LEU  37   8.744   6.803  -1.109
  225    HB3  LEU  37           3HB      LEU  37   9.962   6.395  -2.300
  226    HG   LEU  37           HG       LEU  37   7.912   4.339  -1.583
  227   HD11  LEU  37          1HD1      LEU  37   6.597   6.351  -1.936
  228   HD12  LEU  37          2HD1      LEU  37   6.409   5.244  -3.297
  229   HD13  LEU  37          3HD1      LEU  37   7.447   6.661  -3.451
  230   HD21  LEU  37          3HD2      LEU  37   9.324   5.069  -4.151
  231   HD22  LEU  37          1HD2      LEU  37   8.220   3.712  -3.928
  232   HD23  LEU  37          2HD2      LEU  37   9.761   3.746  -3.071
  Start of MODEL   13
    1    H1   PCA   1           H1       PCA   1 -10.383   7.069   3.238
    2    HA   PCA   1           HA       PCA   1 -10.434   4.492   3.916
    3    HB2  PCA   1           3HB      PCA   1 -12.614   4.003   3.036
    4    HB3  PCA   1           2HB      PCA   1 -11.724   3.738   1.486
    5    HG2  PCA   1           3HG      PCA   1 -13.884   5.178   2.949
    6    HG3  PCA   1           2HG      PCA   1 -13.321   5.625   1.318
    7    H    GLY   2           H        GLY   2  -8.683   3.443   3.079
    8    HA2  GLY   2           2HA      GLY   2  -7.359   2.730   1.175
    9    HA3  GLY   2           3HA      GLY   2  -7.618   4.316   0.469
   10    H    CYS   3           H        CYS   3  -6.509   3.188   3.662
   11    HA   CYS   3           HA       CYS   3  -3.937   4.525   3.232
   12    HB2  CYS   3           2HB      CYS   3  -5.777   5.890   4.594
   13    HB3  CYS   3           3HB      CYS   3  -5.223   4.864   5.909
   14    H    ALA   4           H        ALA   4  -2.490   2.968   3.459
   15    HA   ALA   4           HA       ALA   4  -2.846   0.986   5.611
   16    HB1  ALA   4           3HB      ALA   4  -1.978  -0.682   4.291
   17    HB2  ALA   4           1HB      ALA   4  -1.069   0.443   3.281
   18    HB3  ALA   4           2HB      ALA   4  -2.814   0.295   3.084
   19    H    PHE   5           H        PHE   5  -1.021   0.366   6.820
   20    HA   PHE   5           HA       PHE   5   1.048   2.425   7.005
   21    HB2  PHE   5           2HB      PHE   5  -0.386   1.418   8.971
   22    HB3  PHE   5           3HB      PHE   5   0.800   0.120   8.915
   23    HD1  PHE   5           HD2      PHE   5   0.316   3.720   9.536
   24    HD2  PHE   5           HD1      PHE   5   3.002   0.426   9.759
   25    HE1  PHE   5           HE2      PHE   5   1.830   5.056  10.942
   26    HE2  PHE   5           HE1      PHE   5   4.520   1.755  11.167
   27    HZ   PHE   5           HZ       PHE   5   3.936   4.073  11.758
   28    H    GLU   6           H        GLU   6   3.320   1.593   7.603
   29    HA   GLU   6           HA       GLU   6   4.354   0.061   5.473
   30    HB2  GLU   6           2HB      GLU   6   5.555   1.810   6.895
   31    HB3  GLU   6           3HB      GLU   6   5.793   0.539   8.081
   32    HG2  GLU   6           2HG      GLU   6   6.946  -0.779   6.275
   33    HG3  GLU   6           3HG      GLU   6   6.870   0.669   5.274
   34    H    GLY   7           H        GLY   7   4.925  -2.011   5.254
   35    HA2  GLY   7           2HA      GLY   7   5.324  -4.242   5.817
   36    HA3  GLY   7           3HA      GLY   7   4.963  -3.858   7.493
   37    H    GLU   8           H        GLU   8   2.452  -2.564   5.915
   38    HA   GLU   8           HA       GLU   8   0.743  -4.883   6.400
   39    HB2  GLU   8           2HB      GLU   8   0.357  -2.431   7.248
   40    HB3  GLU   8           3HB      GLU   8  -0.268  -2.161   5.628
   41    HG2  GLU   8           2HG      GLU   8  -1.942  -3.886   5.959
   42    HG3  GLU   8           3HG      GLU   8  -1.293  -4.232   7.561
   43    H    SER   9           H        SER   9  -0.934  -5.461   4.870
   44    HA   SER   9           HA       SER   9   0.013  -5.261   2.110
   45    HB2  SER   9           2HB      SER   9  -2.030  -7.118   3.358
   46    HB3  SER   9           3HB      SER   9  -1.500  -7.171   1.676
   47    HG   SER   9           HG       SER   9  -0.268  -8.110   3.931
   48    H    CYS  10           H        CYS  10  -0.847  -3.788   0.836
   49    HA   CYS  10           HA       CYS  10  -3.681  -3.062   1.195
   50    HB2  CYS  10           2HB      CYS  10  -3.239  -0.822   0.816
   51    HB3  CYS  10           3HB      CYS  10  -1.796  -1.308   1.693
   52    H    ASN  11           H        ASN  11  -4.865  -2.532  -0.712
   53    HA   ASN  11           HA       ASN  11  -3.927  -3.972  -3.084
   54    HB2  ASN  11           2HB      ASN  11  -6.725  -3.007  -2.495
   55    HB3  ASN  11           3HB      ASN  11  -6.237  -4.115  -3.768
   56   HD21  ASN  11          1HD2      ASN  11  -6.462  -3.724  -0.286
   57   HD22  ASN  11          2HD2      ASN  11  -6.625  -5.405   0.082
   58    H    VAL  12           H        VAL  12  -3.719  -2.982  -5.046
   59    HA   VAL  12           HA       VAL  12  -3.752  -0.066  -4.970
   60    HB   VAL  12           HB       VAL  12  -2.473  -0.110  -7.060
   61   HG11  VAL  12          1HG1      VAL  12  -1.236  -0.157  -4.989
   62   HG12  VAL  12          2HG1      VAL  12  -0.413  -1.159  -6.187
   63   HG13  VAL  12          3HG1      VAL  12  -1.370  -1.915  -4.912
   64   HG21  VAL  12          3HG2      VAL  12  -1.799  -2.073  -8.184
   65   HG22  VAL  12          1HG2      VAL  12  -3.531  -2.265  -7.896
   66   HG23  VAL  12          2HG2      VAL  12  -2.368  -3.111  -6.876
   67    H    GLU  13           H        GLU  13  -6.177  -1.837  -5.237
   68    HA   GLU  13           HA       GLU  13  -7.217  -0.848  -7.809
   69    HB2  GLU  13           2HB      GLU  13  -8.107  -3.201  -6.136
   70    HB3  GLU  13           3HB      GLU  13  -8.866  -2.690  -7.633
   71    HG2  GLU  13           2HG      GLU  13  -5.965  -3.450  -7.552
   72    HG3  GLU  13           3HG      GLU  13  -7.231  -4.674  -7.661
   73    H    PHE  14           H        PHE  14  -7.736  -0.975  -4.342
   74    HA   PHE  14           HA       PHE  14  -9.819   1.050  -4.546
   75    HB2  PHE  14           2HB      PHE  14 -11.228  -0.338  -2.849
   76    HB3  PHE  14           3HB      PHE  14 -11.295  -0.759  -4.555
   77    HD1  PHE  14           HD2      PHE  14 -10.236  -2.775  -5.392
   78    HD2  PHE  14           HD1      PHE  14 -10.203  -1.815  -1.253
   79    HE1  PHE  14           HE2      PHE  14  -9.506  -5.064  -4.874
   80    HE2  PHE  14           HE1      PHE  14  -9.465  -4.100  -0.723
   81    HZ   PHE  14           HZ       PHE  14  -9.104  -5.714  -2.540
   82    H    TYR  15           H        TYR  15  -7.920  -0.999  -2.329
   83    HA   TYR  15           HA       TYR  15  -7.832   1.254  -0.430
   84    HB2  TYR  15           2HB      TYR  15  -8.954  -0.957   0.283
   85    HB3  TYR  15           3HB      TYR  15  -7.326  -1.613   0.333
   86    HD1  TYR  15           HD1      TYR  15  -5.662  -0.649   1.976
   87    HD2  TYR  15           HD2      TYR  15  -9.787   0.412   2.029
   88    HE1  TYR  15           HE1      TYR  15  -5.408   0.203   4.265
   89    HE2  TYR  15           HE2      TYR  15  -9.538   1.272   4.319
   90    HH   TYR  15           HH       TYR  15  -6.518   1.797   5.770
   91    HA   PRO  16           HA       PRO  16  -3.446   0.595  -1.976
   92    HB2  PRO  16           2HB      PRO  16  -2.885   3.213  -2.466
   93    HB3  PRO  16           3HB      PRO  16  -3.715   2.183  -3.648
   94    HG2  PRO  16           2HG      PRO  16  -4.869   4.180  -1.756
   95    HG3  PRO  16           3HG      PRO  16  -5.256   3.893  -3.465
   96    HD2  PRO  16           2HD      PRO  16  -6.782   2.930  -1.443
   97    HD3  PRO  16           3HD      PRO  16  -6.606   2.100  -2.998
   98    H    CYS  17           H        CYS  17  -1.434   2.162  -1.247
   99    HA   CYS  17           HA       CYS  17  -1.286   1.915   1.583
  100    HB2  CYS  17           2HB      CYS  17   0.570   3.188  -0.440
  101    HB3  CYS  17           3HB      CYS  17   0.947   3.058   1.272
  102    H    CYS  18           H        CYS  18  -0.087   4.026   2.700
  103    HA   CYS  18           HA       CYS  18  -2.175   6.023   2.794
  104    HB2  CYS  18           2HB      CYS  18   0.216   5.391   4.482
  105    HB3  CYS  18           3HB      CYS  18  -0.559   6.965   4.625
  106    HA   PRO  19           HA       PRO  19   0.193   8.679   0.016
  107    HB2  PRO  19           2HB      PRO  19  -1.711  10.571  -0.352
  108    HB3  PRO  19           3HB      PRO  19  -1.787   8.982  -1.134
  109    HG2  PRO  19           2HG      PRO  19  -3.291  10.002   1.211
  110    HG3  PRO  19           3HG      PRO  19  -3.812   8.902  -0.079
  111    HD2  PRO  19           2HD      PRO  19  -3.029   8.114   2.459
  112    HD3  PRO  19           3HD      PRO  19  -3.068   7.065   1.030
  113    H    GLY  20           H        GLY  20   1.137  10.775   0.040
  114    HA2  GLY  20           2HA      GLY  20   1.660  12.874   0.978
  115    HA3  GLY  20           3HA      GLY  20   0.740  12.443   2.409
  116    H    LEU  21           H        LEU  21   2.066   9.849   2.716
  117    HA   LEU  21           HA       LEU  21   4.404  10.758   4.153
  118    HB2  LEU  21           2HB      LEU  21   3.378   7.933   3.901
  119    HB3  LEU  21           3HB      LEU  21   4.453   8.558   5.127
  120    HG   LEU  21           HG       LEU  21   1.591   9.473   4.849
  121   HD11  LEU  21          1HD1      LEU  21   2.673   7.315   6.653
  122   HD12  LEU  21          2HD1      LEU  21   1.673   7.049   5.227
  123   HD13  LEU  21          3HD1      LEU  21   1.016   7.920   6.613
  124   HD21  LEU  21          3HD2      LEU  21   1.886  10.175   7.184
  125   HD22  LEU  21          1HD2      LEU  21   3.038  10.975   6.116
  126   HD23  LEU  21          2HD2      LEU  21   3.563   9.634   7.134
  127    H    GLY  22           H        GLY  22   3.829   8.095   1.820
  128    HA2  GLY  22           2HA      GLY  22   5.356   8.294  -0.216
  129    HA3  GLY  22           3HA      GLY  22   6.643   8.341   0.974
  130    H    LEU  23           H        LEU  23   3.759   6.291   1.145
  131    HA   LEU  23           HA       LEU  23   5.478   3.939   1.292
  132    HB2  LEU  23           2HB      LEU  23   2.564   4.444   1.857
  133    HB3  LEU  23           3HB      LEU  23   3.153   2.812   1.665
  134    HG   LEU  23           HG       LEU  23   2.918   3.408   4.017
  135   HD11  LEU  23          1HD1      LEU  23   4.946   2.566   4.823
  136   HD12  LEU  23          2HD1      LEU  23   5.857   3.214   3.462
  137   HD13  LEU  23          3HD1      LEU  23   4.750   1.864   3.219
  138   HD21  LEU  23          3HD2      LEU  23   3.229   5.724   4.104
  139   HD22  LEU  23          1HD2      LEU  23   4.822   5.626   3.355
  140   HD23  LEU  23          2HD2      LEU  23   4.582   5.036   4.999
  141    H    THR  24           H        THR  24   5.077   2.031   0.076
  142    HA   THR  24           HA       THR  24   3.526   2.275  -2.385
  143    HB   THR  24           HB       THR  24   5.731   3.006  -3.101
  144    HG1  THR  24           HG1      THR  24   6.110   0.687  -4.299
  145   HG21  THR  24          3HG2      THR  24   6.755   0.446  -1.864
  146   HG22  THR  24          1HG2      THR  24   7.199   2.098  -1.435
  147   HG23  THR  24          2HG2      THR  24   7.687   1.429  -2.993
  148    H    CYS  25           H        CYS  25   2.428   0.447  -2.825
  149    HA   CYS  25           HA       CYS  25   2.826  -1.864  -1.118
  150    HB2  CYS  25           2HB      CYS  25   0.639  -0.727  -2.598
  151    HB3  CYS  25           3HB      CYS  25   0.834  -2.420  -3.033
  152    H    ILE  26           H        ILE  26   3.971  -3.591  -1.632
  153    HA   ILE  26           HA       ILE  26   4.558  -4.123  -4.469
  154    HB   ILE  26           HB       ILE  26   6.453  -4.605  -2.159
  155   HG12  ILE  26          2HG1      ILE  26   6.190  -2.192  -2.532
  156   HG13  ILE  26          3HG1      ILE  26   7.793  -2.724  -2.998
  157   HG21  ILE  26          1HG2      ILE  26   6.672  -6.138  -4.122
  158   HG22  ILE  26          2HG2      ILE  26   8.117  -5.196  -3.748
  159   HG23  ILE  26          3HG2      ILE  26   7.085  -4.729  -5.101
  160   HD11  ILE  26          3HD1      ILE  26   6.969  -1.089  -4.572
  161   HD12  ILE  26          1HD1      ILE  26   5.512  -2.045  -4.856
  162   HD13  ILE  26          2HD1      ILE  26   7.083  -2.658  -5.371
  163    HA   PRO  27           HA       PRO  27   4.612  -5.524  -5.983
  164    HB2  PRO  27           2HB      PRO  27   2.782  -6.969  -7.348
  165    HB3  PRO  27           3HB      PRO  27   4.365  -7.619  -6.885
  166    HG2  PRO  27           2HG      PRO  27   1.711  -8.048  -5.603
  167    HG3  PRO  27           3HG      PRO  27   3.009  -9.216  -5.924
  168    HD2  PRO  27           2HD      PRO  27   2.600  -8.089  -3.481
  169    HD3  PRO  27           3HD      PRO  27   4.193  -8.615  -4.056
  170    H    GLY  28           H        GLY  28   1.472  -5.969  -4.437
  171    HA2  GLY  28           2HA      GLY  28  -0.028  -4.166  -4.054
  172    HA3  GLY  28           3HA      GLY  28   0.618  -3.355  -5.472
  173    H    ASN  29           H        ASN  29   0.377  -5.975  -7.006
  174    HA   ASN  29           HA       ASN  29  -2.535  -5.817  -7.468
  175    HB2  ASN  29           2HB      ASN  29  -0.275  -6.346  -9.408
  176    HB3  ASN  29           3HB      ASN  29  -1.968  -6.608  -9.811
  177   HD21  ASN  29          1HD2      ASN  29  -3.336  -4.840 -10.040
  178   HD22  ASN  29          2HD2      ASN  29  -2.731  -3.235 -10.251
  179    HA   PRO  30           HA       PRO  30  -4.402  -6.848  -7.253
  180    HB2  PRO  30           2HB      PRO  30  -5.692  -8.179  -5.254
  181    HB3  PRO  30           3HB      PRO  30  -5.755  -8.689  -6.951
  182    HG2  PRO  30           2HG      PRO  30  -4.091  -9.759  -4.724
  183    HG3  PRO  30           3HG      PRO  30  -4.959 -10.630  -6.005
  184    HD2  PRO  30           2HD      PRO  30  -2.293 -10.187  -6.105
  185    HD3  PRO  30           3HD      PRO  30  -3.306 -10.273  -7.559
  186    H    ASP  31           H        ASP  31  -2.300  -7.874  -4.645
  187    HA   ASP  31           HA       ASP  31  -2.400  -5.245  -3.446
  188    HB2  ASP  31           2HB      ASP  31  -2.785  -6.171  -1.127
  189    HB3  ASP  31           3HB      ASP  31  -4.199  -6.182  -2.171
  190    H    GLY  32           H        GLY  32  -0.651  -4.799  -2.058
  191    HA2  GLY  32           2HA      GLY  32   1.442  -6.855  -1.874
  192    HA3  GLY  32           3HA      GLY  32   1.826  -5.314  -2.626
  193    H    THR  33           H        THR  33   3.480  -5.395  -0.849
  194    HA   THR  33           HA       THR  33   2.418  -4.617   1.763
  195    HB   THR  33           HB       THR  33   5.039  -4.668   2.236
  196    HG1  THR  33           HG1      THR  33   5.861  -6.526   0.994
  197   HG21  THR  33          3HG2      THR  33   3.293  -7.120   2.037
  198   HG22  THR  33          1HG2      THR  33   3.368  -6.003   3.400
  199   HG23  THR  33          2HG2      THR  33   4.773  -6.989   2.988
  200    H    CYS  34           H        CYS  34   2.612  -2.669   2.612
  201    HA   CYS  34           HA       CYS  34   3.424  -0.491   0.908
  202    HB2  CYS  34           2HB      CYS  34   2.227  -0.619   3.675
  203    HB3  CYS  34           3HB      CYS  34   2.682   0.900   2.911
  204    H    TYR  35           H        TYR  35   5.476  -0.090   0.680
  205    HA   TYR  35           HA       TYR  35   7.252  -0.087   3.029
  206    HB2  TYR  35           2HB      TYR  35   7.781  -0.650   0.119
  207    HB3  TYR  35           3HB      TYR  35   9.084  -0.186   1.208
  208    HD1  TYR  35           HD2      TYR  35   9.395  -1.621   3.329
  209    HD2  TYR  35           HD1      TYR  35   7.133  -2.891  -0.048
  210    HE1  TYR  35           HE2      TYR  35   9.622  -3.946   4.062
  211    HE2  TYR  35           HE1      TYR  35   7.353  -5.225   0.684
  212    HH   TYR  35           HH       TYR  35   8.854  -6.589   2.075
  213    H    TYR  36           H        TYR  36   8.672   1.632   3.344
  214    HA   TYR  36           HA       TYR  36   7.695   4.177   2.395
  215    HB2  TYR  36           2HB      TYR  36   9.467   3.242   4.527
  216    HB3  TYR  36           3HB      TYR  36  10.025   4.727   3.768
  217    HD1  TYR  36           HD2      TYR  36   8.277   6.646   3.557
  218    HD2  TYR  36           HD1      TYR  36   7.838   3.332   6.192
  219    HE1  TYR  36           HE2      TYR  36   6.687   7.939   4.910
  220    HE2  TYR  36           HE1      TYR  36   6.242   4.617   7.549
  221    HH   TYR  36           HH       TYR  36   5.684   6.969   8.001
  222    H    LEU  37           H        LEU  37   8.452   5.389   0.807
  223    HA   LEU  37           HA       LEU  37  10.580   4.398  -0.865
  224    HB2  LEU  37           2HB      LEU  37   8.759   6.790  -1.116
  225    HB3  LEU  37           3HB      LEU  37   9.980   6.376  -2.301
  226    HG   LEU  37           HG       LEU  37   7.925   4.326  -1.588
  227   HD11  LEU  37          1HD1      LEU  37   6.613   6.335  -1.953
  228   HD12  LEU  37          2HD1      LEU  37   6.432   5.228  -3.313
  229   HD13  LEU  37          3HD1      LEU  37   7.472   6.645  -3.462
  230   HD21  LEU  37          3HD2      LEU  37   8.240   3.695  -3.932
  231   HD22  LEU  37          1HD2      LEU  37   9.775   3.720  -3.064
  232   HD23  LEU  37          2HD2      LEU  37   9.354   5.045  -4.149
  Start of MODEL   14
    1    H1   PCA   1           H1       PCA   1 -10.276   3.532   3.896
    2    HA   PCA   1           HA       PCA   1 -11.482   5.374   2.390
    3    HB2  PCA   1           3HB      PCA   1 -11.200   7.214   3.903
    4    HB3  PCA   1           2HB      PCA   1  -9.593   7.390   3.099
    5    HG2  PCA   1           3HG      PCA   1 -11.130   7.025   5.623
    6    HG3  PCA   1           2HG      PCA   1  -9.361   6.845   5.506
    7    H    GLY   2           H        GLY   2  -8.828   3.518   2.996
    8    HA2  GLY   2           2HA      GLY   2  -7.425   2.671   1.277
    9    HA3  GLY   2           3HA      GLY   2  -7.586   4.199   0.425
   10    H    CYS   3           H        CYS   3  -6.563   3.254   3.703
   11    HA   CYS   3           HA       CYS   3  -3.961   4.528   3.226
   12    HB2  CYS   3           2HB      CYS   3  -5.786   5.912   4.586
   13    HB3  CYS   3           3HB      CYS   3  -5.235   4.889   5.907
   14    H    ALA   4           H        ALA   4  -2.513   2.977   3.466
   15    HA   ALA   4           HA       ALA   4  -2.865   1.016   5.637
   16    HB1  ALA   4           3HB      ALA   4  -2.911   0.281   3.130
   17    HB2  ALA   4           1HB      ALA   4  -2.037  -0.680   4.324
   18    HB3  ALA   4           2HB      ALA   4  -1.157   0.421   3.267
   19    H    PHE   5           H        PHE   5  -1.046   0.431   6.854
   20    HA   PHE   5           HA       PHE   5   1.049   2.462   6.957
   21    HB2  PHE   5           2HB      PHE   5   0.242   0.246   8.850
   22    HB3  PHE   5           3HB      PHE   5   1.653   1.263   9.114
   23    HD1  PHE   5           HD2      PHE   5   1.414   3.588   9.740
   24    HD2  PHE   5           HD1      PHE   5  -1.996   1.124   9.103
   25    HE1  PHE   5           HE2      PHE   5  -0.001   5.264  10.855
   26    HE2  PHE   5           HE1      PHE   5  -3.417   2.795  10.216
   27    HZ   PHE   5           HZ       PHE   5  -2.420   4.868  11.095
   28    H    GLU   6           H        GLU   6   3.318   1.572   7.621
   29    HA   GLU   6           HA       GLU   6   4.339   0.057   5.459
   30    HB2  GLU   6           2HB      GLU   6   5.552   1.803   6.884
   31    HB3  GLU   6           3HB      GLU   6   5.797   0.523   8.059
   32    HG2  GLU   6           2HG      GLU   6   6.930  -0.785   6.231
   33    HG3  GLU   6           3HG      GLU   6   6.854   0.675   5.246
   34    H    GLY   7           H        GLY   7   4.925  -2.017   5.248
   35    HA2  GLY   7           2HA      GLY   7   5.317  -4.247   5.818
   36    HA3  GLY   7           3HA      GLY   7   4.951  -3.860   7.491
   37    H    GLU   8           H        GLU   8   2.444  -2.568   5.910
   38    HA   GLU   8           HA       GLU   8   0.732  -4.884   6.395
   39    HB2  GLU   8           2HB      GLU   8   0.345  -2.429   7.232
   40    HB3  GLU   8           3HB      GLU   8  -0.274  -2.165   5.609
   41    HG2  GLU   8           2HG      GLU   8  -1.949  -3.889   5.940
   42    HG3  GLU   8           3HG      GLU   8  -1.306  -4.227   7.547
   43    H    SER   9           H        SER   9  -0.940  -5.468   4.863
   44    HA   SER   9           HA       SER   9   0.012  -5.277   2.103
   45    HB2  SER   9           2HB      SER   9  -0.414  -7.524   3.133
   46    HB3  SER   9           3HB      SER   9  -2.123  -7.105   3.229
   47    HG   SER   9           HG       SER   9  -2.321  -7.424   1.148
   48    H    CYS  10           H        CYS  10  -0.840  -3.782   0.847
   49    HA   CYS  10           HA       CYS  10  -3.675  -3.061   1.199
   50    HB2  CYS  10           2HB      CYS  10  -3.230  -0.821   0.823
   51    HB3  CYS  10           3HB      CYS  10  -1.787  -1.311   1.696
   52    H    ASN  11           H        ASN  11  -4.862  -2.537  -0.705
   53    HA   ASN  11           HA       ASN  11  -3.926  -3.976  -3.078
   54    HB2  ASN  11           2HB      ASN  11  -6.723  -3.014  -2.484
   55    HB3  ASN  11           3HB      ASN  11  -6.236  -4.117  -3.761
   56   HD21  ASN  11          1HD2      ASN  11  -6.455  -3.736  -0.278
   57   HD22  ASN  11          2HD2      ASN  11  -6.615  -5.419   0.086
   58    H    VAL  12           H        VAL  12  -3.719  -2.986  -5.040
   59    HA   VAL  12           HA       VAL  12  -3.754  -0.070  -4.967
   60    HB   VAL  12           HB       VAL  12  -2.478  -0.116  -7.059
   61   HG11  VAL  12          1HG1      VAL  12  -0.417  -1.171  -6.188
   62   HG12  VAL  12          2HG1      VAL  12  -1.374  -1.916  -4.905
   63   HG13  VAL  12          3HG1      VAL  12  -1.234  -0.158  -4.995
   64   HG21  VAL  12          3HG2      VAL  12  -2.368  -3.118  -6.870
   65   HG22  VAL  12          1HG2      VAL  12  -1.806  -2.082  -8.183
   66   HG23  VAL  12          2HG2      VAL  12  -3.537  -2.276  -7.888
   67    H    GLU  13           H        GLU  13  -6.180  -1.840  -5.229
   68    HA   GLU  13           HA       GLU  13  -7.223  -0.858  -7.801
   69    HB2  GLU  13           2HB      GLU  13  -8.110  -3.206  -6.118
   70    HB3  GLU  13           3HB      GLU  13  -8.872  -2.699  -7.616
   71    HG2  GLU  13           2HG      GLU  13  -5.971  -3.459  -7.540
   72    HG3  GLU  13           3HG      GLU  13  -7.238  -4.684  -7.642
   73    H    PHE  14           H        PHE  14  -7.735  -0.974  -4.333
   74    HA   PHE  14           HA       PHE  14  -9.818   1.052  -4.539
   75    HB2  PHE  14           2HB      PHE  14 -11.224  -0.330  -2.837
   76    HB3  PHE  14           3HB      PHE  14 -11.295  -0.756  -4.541
   77    HD1  PHE  14           HD2      PHE  14 -10.235  -2.775  -5.373
   78    HD2  PHE  14           HD1      PHE  14 -10.202  -1.804  -1.237
   79    HE1  PHE  14           HE2      PHE  14  -9.506  -5.063  -4.849
   80    HE2  PHE  14           HE1      PHE  14  -9.462  -4.087  -0.701
   81    HZ   PHE  14           HZ       PHE  14  -9.103  -5.706  -2.514
   82    H    TYR  15           H        TYR  15  -7.919  -0.994  -2.318
   83    HA   TYR  15           HA       TYR  15  -7.820   1.268  -0.429
   84    HB2  TYR  15           2HB      TYR  15  -8.952  -0.939   0.293
   85    HB3  TYR  15           3HB      TYR  15  -7.326  -1.597   0.351
   86    HD1  TYR  15           HD1      TYR  15  -5.673  -0.657   2.006
   87    HD2  TYR  15           HD2      TYR  15  -9.780   0.474   2.015
   88    HE1  TYR  15           HE1      TYR  15  -5.424   0.211   4.289
   89    HE2  TYR  15           HE2      TYR  15  -9.537   1.349   4.299
   90    HH   TYR  15           HH       TYR  15  -8.070   1.032   6.246
   91    HA   PRO  16           HA       PRO  16  -3.439   0.581  -1.971
   92    HB2  PRO  16           2HB      PRO  16  -2.866   3.194  -2.474
   93    HB3  PRO  16           3HB      PRO  16  -3.700   2.162  -3.651
   94    HG2  PRO  16           2HG      PRO  16  -4.846   4.174  -1.770
   95    HG3  PRO  16           3HG      PRO  16  -5.235   3.878  -3.477
   96    HD2  PRO  16           2HD      PRO  16  -6.763   2.934  -1.448
   97    HD3  PRO  16           3HD      PRO  16  -6.594   2.095  -3.000
   98    H    CYS  17           H        CYS  17  -1.425   2.156  -1.251
   99    HA   CYS  17           HA       CYS  17  -1.271   1.911   1.578
  100    HB2  CYS  17           2HB      CYS  17   0.578   3.178  -0.450
  101    HB3  CYS  17           3HB      CYS  17   0.958   3.061   1.261
  102    H    CYS  18           H        CYS  18  -0.084   4.019   2.701
  103    HA   CYS  18           HA       CYS  18  -2.172   6.015   2.790
  104    HB2  CYS  18           2HB      CYS  18   0.209   5.376   4.486
  105    HB3  CYS  18           3HB      CYS  18  -0.555   6.955   4.626
  106    HA   PRO  19           HA       PRO  19   0.201   8.680   0.026
  107    HB2  PRO  19           2HB      PRO  19  -1.701  10.574  -0.337
  108    HB3  PRO  19           3HB      PRO  19  -1.776   8.989  -1.127
  109    HG2  PRO  19           2HG      PRO  19  -3.286   9.999   1.218
  110    HG3  PRO  19           3HG      PRO  19  -3.803   8.903  -0.077
  111    HD2  PRO  19           2HD      PRO  19  -3.025   8.107   2.462
  112    HD3  PRO  19           3HD      PRO  19  -3.062   7.063   1.029
  113    H    GLY  20           H        GLY  20   1.139  10.782   0.057
  114    HA2  GLY  20           2HA      GLY  20   1.662  12.876   1.006
  115    HA3  GLY  20           3HA      GLY  20   0.741  12.436   2.435
  116    H    LEU  21           H        LEU  21   2.066   9.843   2.734
  117    HA   LEU  21           HA       LEU  21   4.406  10.744   4.173
  118    HB2  LEU  21           2HB      LEU  21   3.378   7.922   3.910
  119    HB3  LEU  21           3HB      LEU  21   4.454   8.541   5.139
  120    HG   LEU  21           HG       LEU  21   1.591   9.457   4.864
  121   HD11  LEU  21          1HD1      LEU  21   1.019   7.898   6.624
  122   HD12  LEU  21          2HD1      LEU  21   2.675   7.293   6.660
  123   HD13  LEU  21          3HD1      LEU  21   1.671   7.033   5.234
  124   HD21  LEU  21          3HD2      LEU  21   3.565   9.610   7.148
  125   HD22  LEU  21          1HD2      LEU  21   1.886  10.150   7.202
  126   HD23  LEU  21          2HD2      LEU  21   3.037  10.955   6.136
  127    H    GLY  22           H        GLY  22   3.826   8.095   1.827
  128    HA2  GLY  22           2HA      GLY  22   5.348   8.297  -0.209
  129    HA3  GLY  22           3HA      GLY  22   6.639   8.344   0.978
  130    H    LEU  23           H        LEU  23   3.758   6.289   1.148
  131    HA   LEU  23           HA       LEU  23   5.480   3.940   1.290
  132    HB2  LEU  23           2HB      LEU  23   2.567   4.442   1.860
  133    HB3  LEU  23           3HB      LEU  23   3.157   2.810   1.664
  134    HG   LEU  23           HG       LEU  23   2.926   3.396   4.016
  135   HD11  LEU  23          1HD1      LEU  23   5.866   3.220   3.463
  136   HD12  LEU  23          2HD1      LEU  23   4.768   1.867   3.204
  137   HD13  LEU  23          3HD1      LEU  23   4.954   2.555   4.816
  138   HD21  LEU  23          3HD2      LEU  23   3.226   5.715   4.105
  139   HD22  LEU  23          1HD2      LEU  23   4.822   5.624   3.361
  140   HD23  LEU  23          2HD2      LEU  23   4.578   5.029   5.004
  141    H    THR  24           H        THR  24   5.078   2.031   0.074
  142    HA   THR  24           HA       THR  24   3.526   2.277  -2.387
  143    HB   THR  24           HB       THR  24   5.728   3.010  -3.103
  144    HG1  THR  24           HG1      THR  24   4.505   1.517  -4.454
  145   HG21  THR  24          3HG2      THR  24   6.756   0.450  -1.868
  146   HG22  THR  24          1HG2      THR  24   7.198   2.104  -1.440
  147   HG23  THR  24          2HG2      THR  24   7.688   1.437  -2.997
  148    H    CYS  25           H        CYS  25   2.430   0.448  -2.828
  149    HA   CYS  25           HA       CYS  25   2.832  -1.864  -1.121
  150    HB2  CYS  25           2HB      CYS  25   0.641  -0.729  -2.599
  151    HB3  CYS  25           3HB      CYS  25   0.837  -2.422  -3.032
  152    H    ILE  26           H        ILE  26   3.974  -3.591  -1.637
  153    HA   ILE  26           HA       ILE  26   4.559  -4.122  -4.475
  154    HB   ILE  26           HB       ILE  26   6.457  -4.600  -2.168
  155   HG12  ILE  26          2HG1      ILE  26   6.189  -2.187  -2.547
  156   HG13  ILE  26          3HG1      ILE  26   7.794  -2.720  -3.008
  157   HG21  ILE  26          1HG2      ILE  26   7.081  -4.733  -5.111
  158   HG22  ILE  26          2HG2      ILE  26   6.676  -6.138  -4.126
  159   HG23  ILE  26          3HG2      ILE  26   8.121  -5.192  -3.760
  160   HD11  ILE  26          3HD1      ILE  26   5.517  -2.046  -4.872
  161   HD12  ILE  26          1HD1      ILE  26   7.090  -2.663  -5.382
  162   HD13  ILE  26          2HD1      ILE  26   6.973  -1.091  -4.589
  163    HA   PRO  27           HA       PRO  27   4.612  -5.524  -5.989
  164    HB2  PRO  27           2HB      PRO  27   2.780  -6.971  -7.351
  165    HB3  PRO  27           3HB      PRO  27   4.363  -7.619  -6.889
  166    HG2  PRO  27           2HG      PRO  27   1.713  -8.050  -5.603
  167    HG3  PRO  27           3HG      PRO  27   3.011  -9.217  -5.925
  168    HD2  PRO  27           2HD      PRO  27   2.605  -8.089  -3.483
  169    HD3  PRO  27           3HD      PRO  27   4.197  -8.615  -4.059
  170    H    GLY  28           H        GLY  28   1.474  -5.971  -4.441
  171    HA2  GLY  28           2HA      GLY  28  -0.026  -4.167  -4.055
  172    HA3  GLY  28           3HA      GLY  28   0.617  -3.358  -5.475
  173    H    ASN  29           H        ASN  29   0.373  -5.980  -7.006
  174    HA   ASN  29           HA       ASN  29  -2.540  -5.823  -7.462
  175    HB2  ASN  29           2HB      ASN  29  -0.283  -6.354  -9.405
  176    HB3  ASN  29           3HB      ASN  29  -1.977  -6.616  -9.804
  177   HD21  ASN  29          1HD2      ASN  29   0.483  -4.262  -9.130
  178   HD22  ASN  29          2HD2      ASN  29  -0.394  -2.885  -9.693
  179    HA   PRO  30           HA       PRO  30  -4.405  -6.856  -7.242
  180    HB2  PRO  30           2HB      PRO  30  -5.691  -8.185  -5.241
  181    HB3  PRO  30           3HB      PRO  30  -5.756  -8.696  -6.938
  182    HG2  PRO  30           2HG      PRO  30  -4.089  -9.764  -4.711
  183    HG3  PRO  30           3HG      PRO  30  -4.959 -10.636  -5.990
  184    HD2  PRO  30           2HD      PRO  30  -2.293 -10.192  -6.093
  185    HD3  PRO  30           3HD      PRO  30  -3.307 -10.280  -7.546
  186    H    ASP  31           H        ASP  31  -2.297  -7.878  -4.638
  187    HA   ASP  31           HA       ASP  31  -2.397  -5.246  -3.441
  188    HB2  ASP  31           2HB      ASP  31  -2.777  -6.171  -1.121
  189    HB3  ASP  31           3HB      ASP  31  -4.193  -6.183  -2.162
  190    H    GLY  32           H        GLY  32  -0.646  -4.798  -2.055
  191    HA2  GLY  32           2HA      GLY  32   1.450  -6.853  -1.874
  192    HA3  GLY  32           3HA      GLY  32   1.830  -5.310  -2.626
  193    H    THR  33           H        THR  33   3.487  -5.395  -0.851
  194    HA   THR  33           HA       THR  33   2.428  -4.618   1.763
  195    HB   THR  33           HB       THR  33   5.049  -4.667   2.232
  196    HG1  THR  33           HG1      THR  33   5.499  -5.220   0.001
  197   HG21  THR  33          3HG2      THR  33   3.307  -7.122   2.033
  198   HG22  THR  33          1HG2      THR  33   3.380  -6.006   3.396
  199   HG23  THR  33          2HG2      THR  33   4.785  -6.988   2.983
  200    H    CYS  34           H        CYS  34   2.626  -2.670   2.616
  201    HA   CYS  34           HA       CYS  34   3.431  -0.491   0.909
  202    HB2  CYS  34           2HB      CYS  34   2.241  -0.621   3.679
  203    HB3  CYS  34           3HB      CYS  34   2.698   0.898   2.919
  204    H    TYR  35           H        TYR  35   5.481  -0.088   0.676
  205    HA   TYR  35           HA       TYR  35   7.265  -0.087   3.018
  206    HB2  TYR  35           2HB      TYR  35   7.784  -0.647   0.105
  207    HB3  TYR  35           3HB      TYR  35   9.090  -0.181   1.188
  208    HD1  TYR  35           HD2      TYR  35   9.416  -1.616   3.306
  209    HD2  TYR  35           HD1      TYR  35   7.135  -2.890  -0.058
  210    HE1  TYR  35           HE2      TYR  35   9.649  -3.941   4.038
  211    HE2  TYR  35           HE1      TYR  35   7.361  -5.222   0.673
  212    HH   TYR  35           HH       TYR  35   8.486  -6.093   3.754
  213    H    TYR  36           H        TYR  36   8.676   1.636   3.338
  214    HA   TYR  36           HA       TYR  36   7.697   4.180   2.391
  215    HB2  TYR  36           2HB      TYR  36   9.472   3.244   4.520
  216    HB3  TYR  36           3HB      TYR  36  10.028   4.731   3.762
  217    HD1  TYR  36           HD2      TYR  36   8.281   6.649   3.557
  218    HD2  TYR  36           HD1      TYR  36   7.842   3.330   6.184
  219    HE1  TYR  36           HE2      TYR  36   6.690   7.938   4.912
  220    HE2  TYR  36           HE1      TYR  36   6.246   4.612   7.544
  221    HH   TYR  36           HH       TYR  36   5.686   6.963   8.001
  222    H    LEU  37           H        LEU  37   8.451   5.394   0.802
  223    HA   LEU  37           HA       LEU  37  10.580   4.407  -0.872
  224    HB2  LEU  37           2HB      LEU  37   8.754   6.796  -1.120
  225    HB3  LEU  37           3HB      LEU  37   9.976   6.386  -2.307
  226    HG   LEU  37           HG       LEU  37   7.924   4.332  -1.593
  227   HD11  LEU  37          1HD1      LEU  37   7.466   6.651  -3.464
  228   HD12  LEU  37          2HD1      LEU  37   6.609   6.339  -1.955
  229   HD13  LEU  37          3HD1      LEU  37   6.429   5.233  -3.316
  230   HD21  LEU  37          3HD2      LEU  37   8.239   3.703  -3.938
  231   HD22  LEU  37          1HD2      LEU  37   9.775   3.730  -3.072
  232   HD23  LEU  37          2HD2      LEU  37   9.350   5.055  -4.155
  Start of MODEL   15
    1    H1   PCA   1           H1       PCA   1  -9.968   7.316   3.342
    2    HA   PCA   1           HA       PCA   1 -10.424   4.741   3.855
    3    HB2  PCA   1           3HB      PCA   1 -12.606   4.629   2.858
    4    HB3  PCA   1           2HB      PCA   1 -11.687   4.322   1.333
    5    HG2  PCA   1           3HG      PCA   1 -13.687   5.981   2.789
    6    HG3  PCA   1           2HG      PCA   1 -12.982   6.431   1.214
    7    H    GLY   2           H        GLY   2  -8.813   3.487   3.019
    8    HA2  GLY   2           2HA      GLY   2  -7.409   2.667   1.284
    9    HA3  GLY   2           3HA      GLY   2  -7.591   4.201   0.445
   10    H    CYS   3           H        CYS   3  -6.528   3.201   3.696
   11    HA   CYS   3           HA       CYS   3  -3.947   4.516   3.231
   12    HB2  CYS   3           2HB      CYS   3  -5.779   5.884   4.599
   13    HB3  CYS   3           3HB      CYS   3  -5.217   4.862   5.915
   14    H    ALA   4           H        ALA   4  -2.492   2.967   3.462
   15    HA   ALA   4           HA       ALA   4  -2.838   0.992   5.622
   16    HB1  ALA   4           3HB      ALA   4  -1.089   0.432   3.274
   17    HB2  ALA   4           1HB      ALA   4  -2.839   0.285   3.101
   18    HB3  ALA   4           2HB      ALA   4  -1.985  -0.684   4.302
   19    H    PHE   5           H        PHE   5  -1.019   0.398   6.839
   20    HA   PHE   5           HA       PHE   5   1.063   2.445   6.977
   21    HB2  PHE   5           2HB      PHE   5  -0.368   1.445   8.961
   22    HB3  PHE   5           3HB      PHE   5   0.848   0.175   8.923
   23    HD1  PHE   5           HD2      PHE   5   0.275   3.766   9.496
   24    HD2  PHE   5           HD1      PHE   5   3.053   0.550   9.740
   25    HE1  PHE   5           HE2      PHE   5   1.765   5.161  10.872
   26    HE2  PHE   5           HE1      PHE   5   4.545   1.938  11.118
   27    HZ   PHE   5           HZ       PHE   5   3.902   4.247  11.684
   28    H    GLU   6           H        GLU   6   3.333   1.600   7.592
   29    HA   GLU   6           HA       GLU   6   4.361   0.055   5.470
   30    HB2  GLU   6           2HB      GLU   6   5.569   1.801   6.896
   31    HB3  GLU   6           3HB      GLU   6   5.800   0.526   8.079
   32    HG2  GLU   6           2HG      GLU   6   6.944  -0.796   6.268
   33    HG3  GLU   6           3HG      GLU   6   6.881   0.659   5.274
   34    H    GLY   7           H        GLY   7   4.929  -2.021   5.262
   35    HA2  GLY   7           2HA      GLY   7   5.314  -4.251   5.834
   36    HA3  GLY   7           3HA      GLY   7   4.946  -3.861   7.505
   37    H    GLU   8           H        GLU   8   2.446  -2.560   5.922
   38    HA   GLU   8           HA       GLU   8   0.726  -4.871   6.402
   39    HB2  GLU   8           2HB      GLU   8   0.346  -2.413   7.236
   40    HB3  GLU   8           3HB      GLU   8  -0.273  -2.152   5.613
   41    HG2  GLU   8           2HG      GLU   8  -1.950  -3.874   5.951
   42    HG3  GLU   8           3HG      GLU   8  -1.307  -4.206   7.559
   43    H    SER   9           H        SER   9  -0.940  -5.456   4.866
   44    HA   SER   9           HA       SER   9   0.016  -5.260   2.109
   45    HB2  SER   9           2HB      SER   9  -0.407  -7.510   3.138
   46    HB3  SER   9           3HB      SER   9  -2.118  -7.095   3.228
   47    HG   SER   9           HG       SER   9  -2.283  -7.631   1.214
   48    H    CYS  10           H        CYS  10  -0.844  -3.779   0.842
   49    HA   CYS  10           HA       CYS  10  -3.680  -3.062   1.196
   50    HB2  CYS  10           2HB      CYS  10  -3.242  -0.820   0.814
   51    HB3  CYS  10           3HB      CYS  10  -1.800  -1.304   1.695
   52    H    ASN  11           H        ASN  11  -4.865  -2.532  -0.711
   53    HA   ASN  11           HA       ASN  11  -3.927  -3.972  -3.082
   54    HB2  ASN  11           2HB      ASN  11  -6.725  -3.010  -2.492
   55    HB3  ASN  11           3HB      ASN  11  -6.236  -4.114  -3.768
   56   HD21  ASN  11          1HD2      ASN  11  -6.457  -3.733  -0.285
   57   HD22  ASN  11          2HD2      ASN  11  -6.618  -5.416   0.078
   58    H    VAL  12           H        VAL  12  -3.719  -2.983  -5.045
   59    HA   VAL  12           HA       VAL  12  -3.753  -0.066  -4.971
   60    HB   VAL  12           HB       VAL  12  -2.476  -0.112  -7.063
   61   HG11  VAL  12          1HG1      VAL  12  -1.232  -0.156  -4.999
   62   HG12  VAL  12          2HG1      VAL  12  -0.416  -1.169  -6.192
   63   HG13  VAL  12          3HG1      VAL  12  -1.375  -1.912  -4.910
   64   HG21  VAL  12          3HG2      VAL  12  -2.372  -3.113  -6.875
   65   HG22  VAL  12          1HG2      VAL  12  -1.804  -2.077  -8.186
   66   HG23  VAL  12          2HG2      VAL  12  -3.536  -2.269  -7.895
   67    H    GLU  13           H        GLU  13  -6.178  -1.836  -5.234
   68    HA   GLU  13           HA       GLU  13  -7.222  -0.854  -7.806
   69    HB2  GLU  13           2HB      GLU  13  -8.110  -3.200  -6.122
   70    HB3  GLU  13           3HB      GLU  13  -8.873  -2.693  -7.619
   71    HG2  GLU  13           2HG      GLU  13  -5.973  -3.456  -7.545
   72    HG3  GLU  13           3HG      GLU  13  -7.239  -4.679  -7.647
   73    H    PHE  14           H        PHE  14  -7.734  -0.967  -4.338
   74    HA   PHE  14           HA       PHE  14  -9.814   1.059  -4.545
   75    HB2  PHE  14           2HB      PHE  14 -11.224  -0.321  -2.843
   76    HB3  PHE  14           3HB      PHE  14 -11.294  -0.747  -4.549
   77    HD1  PHE  14           HD2      PHE  14 -10.235  -2.767  -5.380
   78    HD2  PHE  14           HD1      PHE  14 -10.203  -1.796  -1.244
   79    HE1  PHE  14           HE2      PHE  14  -9.508  -5.056  -4.855
   80    HE2  PHE  14           HE1      PHE  14  -9.466  -4.079  -0.707
   81    HZ   PHE  14           HZ       PHE  14  -9.107  -5.699  -2.520
   82    H    TYR  15           H        TYR  15  -7.920  -0.989  -2.324
   83    HA   TYR  15           HA       TYR  15  -7.819   1.273  -0.434
   84    HB2  TYR  15           2HB      TYR  15  -8.953  -0.932   0.287
   85    HB3  TYR  15           3HB      TYR  15  -7.328  -1.591   0.346
   86    HD1  TYR  15           HD2      TYR  15  -5.672  -0.647   1.998
   87    HD2  TYR  15           HD1      TYR  15  -9.781   0.478   2.012
   88    HE1  TYR  15           HE2      TYR  15  -5.421   0.222   4.280
   89    HE2  TYR  15           HE1      TYR  15  -9.536   1.352   4.297
   90    HH   TYR  15           HH       TYR  15  -6.518   1.846   5.764
   91    HA   PRO  16           HA       PRO  16  -3.438   0.583  -1.974
   92    HB2  PRO  16           2HB      PRO  16  -2.862   3.196  -2.475
   93    HB3  PRO  16           3HB      PRO  16  -3.696   2.165  -3.654
   94    HG2  PRO  16           2HG      PRO  16  -4.841   4.177  -1.773
   95    HG3  PRO  16           3HG      PRO  16  -5.229   3.882  -3.480
   96    HD2  PRO  16           2HD      PRO  16  -6.761   2.938  -1.453
   97    HD3  PRO  16           3HD      PRO  16  -6.590   2.100  -3.005
   98    H    CYS  17           H        CYS  17  -1.422   2.154  -1.251
   99    HA   CYS  17           HA       CYS  17  -1.273   1.910   1.578
  100    HB2  CYS  17           2HB      CYS  17   0.582   3.173  -0.447
  101    HB3  CYS  17           3HB      CYS  17   0.958   3.056   1.264
  102    H    CYS  18           H        CYS  18  -0.085   4.016   2.703
  103    HA   CYS  18           HA       CYS  18  -2.171   6.013   2.790
  104    HB2  CYS  18           2HB      CYS  18   0.218   5.384   4.480
  105    HB3  CYS  18           3HB      CYS  18  -0.556   6.960   4.621
  106    HA   PRO  19           HA       PRO  19   0.190   8.671   0.010
  107    HB2  PRO  19           2HB      PRO  19  -1.719  10.558  -0.361
  108    HB3  PRO  19           3HB      PRO  19  -1.789   8.968  -1.141
  109    HG2  PRO  19           2HG      PRO  19  -3.300   9.984   1.199
  110    HG3  PRO  19           3HG      PRO  19  -3.815   8.881  -0.090
  111    HD2  PRO  19           2HD      PRO  19  -3.031   8.100   2.453
  112    HD3  PRO  19           3HD      PRO  19  -3.066   7.049   1.024
  113    H    GLY  20           H        GLY  20   1.133  10.768   0.036
  114    HA2  GLY  20           2HA      GLY  20   1.646  12.870   0.971
  115    HA3  GLY  20           3HA      GLY  20   0.726  12.437   2.403
  116    H    LEU  21           H        LEU  21   2.057   9.847   2.715
  117    HA   LEU  21           HA       LEU  21   4.392  10.763   4.152
  118    HB2  LEU  21           2HB      LEU  21   3.374   7.937   3.904
  119    HB3  LEU  21           3HB      LEU  21   4.446   8.566   5.130
  120    HG   LEU  21           HG       LEU  21   1.580   9.473   4.848
  121   HD11  LEU  21          1HD1      LEU  21   2.665   7.324   6.661
  122   HD12  LEU  21          2HD1      LEU  21   1.672   7.049   5.231
  123   HD13  LEU  21          3HD1      LEU  21   1.007   7.921   6.611
  124   HD21  LEU  21          3HD2      LEU  21   3.023  10.982   6.112
  125   HD22  LEU  21          1HD2      LEU  21   3.551   9.645   7.133
  126   HD23  LEU  21          2HD2      LEU  21   1.871  10.180   7.181
  127    H    GLY  22           H        GLY  22   3.830   8.087   1.831
  128    HA2  GLY  22           2HA      GLY  22   5.359   8.293  -0.206
  129    HA3  GLY  22           3HA      GLY  22   6.644   8.338   0.988
  130    H    LEU  23           H        LEU  23   3.759   6.289   1.153
  131    HA   LEU  23           HA       LEU  23   5.479   3.937   1.295
  132    HB2  LEU  23           2HB      LEU  23   2.565   4.440   1.868
  133    HB3  LEU  23           3HB      LEU  23   3.158   2.808   1.677
  134    HG   LEU  23           HG       LEU  23   2.926   3.407   4.029
  135   HD11  LEU  23          1HD1      LEU  23   5.865   3.218   3.465
  136   HD12  LEU  23          2HD1      LEU  23   4.759   1.867   3.230
  137   HD13  LEU  23          3HD1      LEU  23   4.959   2.573   4.833
  138   HD21  LEU  23          3HD2      LEU  23   4.827   5.628   3.362
  139   HD22  LEU  23          1HD2      LEU  23   4.581   5.041   5.008
  140   HD23  LEU  23          2HD2      LEU  23   3.231   5.726   4.106
  141    H    THR  24           H        THR  24   5.077   2.031   0.079
  142    HA   THR  24           HA       THR  24   3.517   2.278  -2.379
  143    HB   THR  24           HB       THR  24   5.720   3.009  -3.098
  144    HG1  THR  24           HG1      THR  24   6.155   0.833  -4.393
  145   HG21  THR  24          3HG2      THR  24   7.192   2.098  -1.438
  146   HG22  THR  24          1HG2      THR  24   7.677   1.434  -2.999
  147   HG23  THR  24          2HG2      THR  24   6.748   0.447  -1.868
  148    H    CYS  25           H        CYS  25   2.424   0.448  -2.826
  149    HA   CYS  25           HA       CYS  25   2.824  -1.864  -1.119
  150    HB2  CYS  25           2HB      CYS  25   0.636  -0.729  -2.599
  151    HB3  CYS  25           3HB      CYS  25   0.831  -2.421  -3.031
  152    H    ILE  26           H        ILE  26   3.969  -3.590  -1.635
  153    HA   ILE  26           HA       ILE  26   4.557  -4.119  -4.472
  154    HB   ILE  26           HB       ILE  26   6.453  -4.599  -2.165
  155   HG12  ILE  26          2HG1      ILE  26   6.185  -2.186  -2.538
  156   HG13  ILE  26          3HG1      ILE  26   7.789  -2.716  -3.001
  157   HG21  ILE  26          1HG2      ILE  26   8.118  -5.186  -3.758
  158   HG22  ILE  26          2HG2      ILE  26   7.080  -4.724  -5.107
  159   HG23  ILE  26          3HG2      ILE  26   6.675  -6.133  -4.127
  160   HD11  ILE  26          3HD1      ILE  26   6.966  -1.083  -4.576
  161   HD12  ILE  26          1HD1      ILE  26   5.512  -2.043  -4.863
  162   HD13  ILE  26          2HD1      ILE  26   7.085  -2.653  -5.375
  163    HA   PRO  27           HA       PRO  27   4.612  -5.520  -5.988
  164    HB2  PRO  27           2HB      PRO  27   2.782  -6.966  -7.352
  165    HB3  PRO  27           3HB      PRO  27   4.365  -7.614  -6.890
  166    HG2  PRO  27           2HG      PRO  27   1.712  -8.046  -5.607
  167    HG3  PRO  27           3HG      PRO  27   3.011  -9.214  -5.930
  168    HD2  PRO  27           2HD      PRO  27   2.603  -8.088  -3.486
  169    HD3  PRO  27           3HD      PRO  27   4.197  -8.613  -4.061
  170    H    GLY  28           H        GLY  28   1.472  -5.968  -4.443
  171    HA2  GLY  28           2HA      GLY  28  -0.029  -4.166  -4.056
  172    HA3  GLY  28           3HA      GLY  28   0.616  -3.355  -5.475
  173    H    ASN  29           H        ASN  29   0.374  -5.977  -7.009
  174    HA   ASN  29           HA       ASN  29  -2.538  -5.818  -7.468
  175    HB2  ASN  29           2HB      ASN  29  -0.279  -6.349  -9.410
  176    HB3  ASN  29           3HB      ASN  29  -1.972  -6.610  -9.812
  177   HD21  ASN  29          1HD2      ASN  29  -3.340  -4.842 -10.042
  178   HD22  ASN  29          2HD2      ASN  29  -2.736  -3.238 -10.253
  179    HA   PRO  30           HA       PRO  30  -4.404  -6.849  -7.252
  180    HB2  PRO  30           2HB      PRO  30  -5.693  -8.178  -5.252
  181    HB3  PRO  30           3HB      PRO  30  -5.757  -8.689  -6.949
  182    HG2  PRO  30           2HG      PRO  30  -4.093  -9.759  -4.722
  183    HG3  PRO  30           3HG      PRO  30  -4.961 -10.629  -6.001
  184    HD2  PRO  30           2HD      PRO  30  -2.295 -10.187  -6.103
  185    HD3  PRO  30           3HD      PRO  30  -3.308 -10.275  -7.555
  186    H    ASP  31           H        ASP  31  -2.300  -7.874  -4.645
  187    HA   ASP  31           HA       ASP  31  -2.401  -5.244  -3.445
  188    HB2  ASP  31           2HB      ASP  31  -2.783  -6.171  -1.127
  189    HB3  ASP  31           3HB      ASP  31  -4.198  -6.184  -2.169
  190    H    GLY  32           H        GLY  32  -0.651  -4.798  -2.059
  191    HA2  GLY  32           2HA      GLY  32   1.446  -6.851  -1.879
  192    HA3  GLY  32           3HA      GLY  32   1.826  -5.308  -2.630
  193    H    THR  33           H        THR  33   3.481  -5.395  -0.851
  194    HA   THR  33           HA       THR  33   2.421  -4.620   1.762
  195    HB   THR  33           HB       THR  33   5.040  -4.673   2.235
  196    HG1  THR  33           HG1      THR  33   5.336  -6.855   0.762
  197   HG21  THR  33          3HG2      THR  33   4.774  -6.995   2.979
  198   HG22  THR  33          1HG2      THR  33   3.297  -7.126   2.025
  199   HG23  THR  33          2HG2      THR  33   3.368  -6.014   3.393
  200    H    CYS  34           H        CYS  34   2.620  -2.675   2.618
  201    HA   CYS  34           HA       CYS  34   3.426  -0.493   0.916
  202    HB2  CYS  34           2HB      CYS  34   2.235  -0.628   3.684
  203    HB3  CYS  34           3HB      CYS  34   2.693   0.893   2.926
  204    H    TYR  35           H        TYR  35   5.476  -0.087   0.685
  205    HA   TYR  35           HA       TYR  35   7.258  -0.090   3.029
  206    HB2  TYR  35           2HB      TYR  35   7.782  -0.647   0.117
  207    HB3  TYR  35           3HB      TYR  35   9.087  -0.186   1.203
  208    HD1  TYR  35           HD2      TYR  35   9.406  -1.624   3.319
  209    HD2  TYR  35           HD1      TYR  35   7.133  -2.889  -0.053
  210    HE1  TYR  35           HE2      TYR  35   9.637  -3.951   4.048
  211    HE2  TYR  35           HE1      TYR  35   7.356  -5.224   0.674
  212    HH   TYR  35           HH       TYR  35   8.864  -6.590   2.057
  213    H    TYR  36           H        TYR  36   8.685   1.629   3.338
  214    HA   TYR  36           HA       TYR  36   7.703   4.174   2.396
  215    HB2  TYR  36           2HB      TYR  36   9.487   3.237   4.520
  216    HB3  TYR  36           3HB      TYR  36  10.031   4.730   3.764
  217    HD1  TYR  36           HD1      TYR  36   8.271   6.637   3.568
  218    HD2  TYR  36           HD2      TYR  36   7.867   3.312   6.194
  219    HE1  TYR  36           HE1      TYR  36   6.678   7.915   4.932
  220    HE2  TYR  36           HE2      TYR  36   6.268   4.582   7.563
  221    HH   TYR  36           HH       TYR  36   4.852   7.482   6.523
  222    H    LEU  37           H        LEU  37   8.454   5.386   0.808
  223    HA   LEU  37           HA       LEU  37  10.577   4.398  -0.872
  224    HB2  LEU  37           2HB      LEU  37   8.756   6.790  -1.115
  225    HB3  LEU  37           3HB      LEU  37   9.973   6.379  -2.304
  226    HG   LEU  37           HG       LEU  37   7.920   4.327  -1.587
  227   HD11  LEU  37          1HD1      LEU  37   7.460   6.649  -3.455
  228   HD12  LEU  37          2HD1      LEU  37   6.607   6.338  -1.943
  229   HD13  LEU  37          3HD1      LEU  37   6.420   5.233  -3.305
  230   HD21  LEU  37          3HD2      LEU  37   9.766   3.724  -3.071
  231   HD22  LEU  37          1HD2      LEU  37   9.339   5.052  -4.152
  232   HD23  LEU  37          2HD2      LEU  37   8.227   3.701  -3.933
  Start of MODEL   16
    1    H1   PCA   1           H1       PCA   1 -10.642   6.808   3.998
    2    HA   PCA   1           HA       PCA   1 -10.442   4.437   3.912
    3    HB2  PCA   1           3HB      PCA   1 -12.623   3.953   3.033
    4    HB3  PCA   1           2HB      PCA   1 -11.738   3.712   1.478
    5    HG2  PCA   1           3HG      PCA   1 -13.898   5.124   2.965
    6    HG3  PCA   1           2HG      PCA   1 -13.343   5.595   1.338
    7    H    GLY   2           H        GLY   2  -8.665   3.442   3.083
    8    HA2  GLY   2           2HA      GLY   2  -7.350   2.745   1.158
    9    HA3  GLY   2           3HA      GLY   2  -7.618   4.340   0.472
   10    H    CYS   3           H        CYS   3  -6.506   3.186   3.657
   11    HA   CYS   3           HA       CYS   3  -3.935   4.528   3.236
   12    HB2  CYS   3           2HB      CYS   3  -5.777   5.889   4.598
   13    HB3  CYS   3           3HB      CYS   3  -5.221   4.860   5.913
   14    H    ALA   4           H        ALA   4  -2.488   2.970   3.460
   15    HA   ALA   4           HA       ALA   4  -2.844   0.986   5.611
   16    HB1  ALA   4           3HB      ALA   4  -1.066   0.439   3.283
   17    HB2  ALA   4           1HB      ALA   4  -2.813   0.294   3.083
   18    HB3  ALA   4           2HB      ALA   4  -1.978  -0.681   4.292
   19    H    PHE   5           H        PHE   5  -1.020   0.370   6.822
   20    HA   PHE   5           HA       PHE   5   1.051   2.428   7.000
   21    HB2  PHE   5           2HB      PHE   5  -0.382   1.429   8.970
   22    HB3  PHE   5           3HB      PHE   5   0.802   0.130   8.917
   23    HD1  PHE   5           HD1      PHE   5   0.325   3.733   9.525
   24    HD2  PHE   5           HD2      PHE   5   3.003   0.432   9.762
   25    HE1  PHE   5           HE1      PHE   5   1.843   5.070  10.926
   26    HE2  PHE   5           HE2      PHE   5   4.525   1.764  11.163
   27    HZ   PHE   5           HZ       PHE   5   3.945   4.086  11.747
   28    H    GLU   6           H        GLU   6   3.322   1.596   7.600
   29    HA   GLU   6           HA       GLU   6   4.356   0.061   5.474
   30    HB2  GLU   6           2HB      GLU   6   5.559   1.808   6.895
   31    HB3  GLU   6           3HB      GLU   6   5.792   0.539   8.084
   32    HG2  GLU   6           2HG      GLU   6   6.942  -0.786   6.279
   33    HG3  GLU   6           3HG      GLU   6   6.879   0.666   5.282
   34    H    GLY   7           H        GLY   7   4.921  -2.012   5.256
   35    HA2  GLY   7           2HA      GLY   7   5.320  -4.243   5.821
   36    HA3  GLY   7           3HA      GLY   7   4.957  -3.859   7.495
   37    H    GLU   8           H        GLU   8   2.448  -2.564   5.914
   38    HA   GLU   8           HA       GLU   8   0.735  -4.880   6.401
   39    HB2  GLU   8           2HB      GLU   8   0.350  -2.424   7.238
   40    HB3  GLU   8           3HB      GLU   8  -0.271  -2.160   5.617
   41    HG2  GLU   8           2HG      GLU   8  -1.946  -3.883   5.951
   42    HG3  GLU   8           3HG      GLU   8  -1.300  -4.223   7.556
   43    H    SER   9           H        SER   9  -0.939  -5.460   4.868
   44    HA   SER   9           HA       SER   9   0.012  -5.268   2.109
   45    HB2  SER   9           2HB      SER   9  -0.416  -7.516   3.140
   46    HB3  SER   9           3HB      SER   9  -2.125  -7.095   3.233
   47    HG   SER   9           HG       SER   9  -1.958  -6.748   0.891
   48    H    CYS  10           H        CYS  10  -0.846  -3.788   0.840
   49    HA   CYS  10           HA       CYS  10  -3.680  -3.063   1.197
   50    HB2  CYS  10           2HB      CYS  10  -3.237  -0.823   0.819
   51    HB3  CYS  10           3HB      CYS  10  -1.793  -1.311   1.694
   52    H    ASN  11           H        ASN  11  -4.864  -2.533  -0.711
   53    HA   ASN  11           HA       ASN  11  -3.927  -3.973  -3.083
   54    HB2  ASN  11           2HB      ASN  11  -6.724  -3.007  -2.494
   55    HB3  ASN  11           3HB      ASN  11  -6.236  -4.114  -3.767
   56   HD21  ASN  11          1HD2      ASN  11  -6.463  -3.724  -0.285
   57   HD22  ASN  11          2HD2      ASN  11  -6.626  -5.406   0.082
   58    H    VAL  12           H        VAL  12  -3.719  -2.982  -5.046
   59    HA   VAL  12           HA       VAL  12  -3.751  -0.065  -4.968
   60    HB   VAL  12           HB       VAL  12  -2.471  -0.109  -7.058
   61   HG11  VAL  12          1HG1      VAL  12  -1.368  -1.917  -4.913
   62   HG12  VAL  12          2HG1      VAL  12  -1.238  -0.159  -4.984
   63   HG13  VAL  12          3HG1      VAL  12  -0.412  -1.154  -6.185
   64   HG21  VAL  12          3HG2      VAL  12  -3.530  -2.265  -7.893
   65   HG22  VAL  12          1HG2      VAL  12  -2.366  -3.111  -6.874
   66   HG23  VAL  12          2HG2      VAL  12  -1.798  -2.073  -8.183
   67    H    GLU  13           H        GLU  13  -6.176  -1.836  -5.237
   68    HA   GLU  13           HA       GLU  13  -7.216  -0.847  -7.808
   69    HB2  GLU  13           2HB      GLU  13  -8.105  -3.200  -6.134
   70    HB3  GLU  13           3HB      GLU  13  -8.866  -2.689  -7.630
   71    HG2  GLU  13           2HG      GLU  13  -5.965  -3.448  -7.556
   72    HG3  GLU  13           3HG      GLU  13  -7.230  -4.673  -7.661
   73    H    PHE  14           H        PHE  14  -7.737  -0.975  -4.342
   74    HA   PHE  14           HA       PHE  14  -9.818   1.051  -4.546
   75    HB2  PHE  14           2HB      PHE  14 -11.227  -0.336  -2.849
   76    HB3  PHE  14           3HB      PHE  14 -11.295  -0.758  -4.555
   77    HD1  PHE  14           HD1      PHE  14 -10.233  -2.773  -5.393
   78    HD2  PHE  14           HD2      PHE  14 -10.205  -1.814  -1.253
   79    HE1  PHE  14           HE1      PHE  14  -9.498  -5.061  -4.874
   80    HE2  PHE  14           HE2      PHE  14  -9.473  -4.101  -0.722
   81    HZ   PHE  14           HZ       PHE  14  -9.104  -5.713  -2.540
   82    H    TYR  15           H        TYR  15  -7.920  -0.998  -2.329
   83    HA   TYR  15           HA       TYR  15  -7.830   1.256  -0.431
   84    HB2  TYR  15           2HB      TYR  15  -8.954  -0.955   0.282
   85    HB3  TYR  15           3HB      TYR  15  -7.327  -1.611   0.335
   86    HD1  TYR  15           HD1      TYR  15  -5.665  -0.645   1.980
   87    HD2  TYR  15           HD2      TYR  15  -9.790   0.414   2.026
   88    HE1  TYR  15           HE1      TYR  15  -5.414   0.211   4.267
   89    HE2  TYR  15           HE2      TYR  15  -9.544   1.277   4.315
   90    HH   TYR  15           HH       TYR  15  -6.527   1.806   5.769
   91    HA   PRO  16           HA       PRO  16  -3.444   0.593  -1.974
   92    HB2  PRO  16           2HB      PRO  16  -2.881   3.211  -2.464
   93    HB3  PRO  16           3HB      PRO  16  -3.710   2.181  -3.646
   94    HG2  PRO  16           2HG      PRO  16  -4.865   4.179  -1.756
   95    HG3  PRO  16           3HG      PRO  16  -5.251   3.890  -3.465
   96    HD2  PRO  16           2HD      PRO  16  -6.779   2.930  -1.443
   97    HD3  PRO  16           3HD      PRO  16  -6.603   2.100  -2.998
   98    H    CYS  17           H        CYS  17  -1.433   2.162  -1.245
   99    HA   CYS  17           HA       CYS  17  -1.285   1.914   1.585
  100    HB2  CYS  17           2HB      CYS  17   0.571   3.188  -0.435
  101    HB3  CYS  17           3HB      CYS  17   0.947   3.056   1.275
  102    H    CYS  18           H        CYS  18  -0.086   4.027   2.701
  103    HA   CYS  18           HA       CYS  18  -2.176   6.023   2.794
  104    HB2  CYS  18           2HB      CYS  18   0.216   5.393   4.482
  105    HB3  CYS  18           3HB      CYS  18  -0.561   6.967   4.626
  106    HA   PRO  19           HA       PRO  19   0.192   8.677   0.014
  107    HB2  PRO  19           2HB      PRO  19  -1.713  10.568  -0.357
  108    HB3  PRO  19           3HB      PRO  19  -1.786   8.977  -1.138
  109    HG2  PRO  19           2HG      PRO  19  -3.295   9.997   1.204
  110    HG3  PRO  19           3HG      PRO  19  -3.813   8.896  -0.086
  111    HD2  PRO  19           2HD      PRO  19  -3.031   8.112   2.456
  112    HD3  PRO  19           3HD      PRO  19  -3.068   7.061   1.027
  113    H    GLY  20           H        GLY  20   1.133  10.776   0.038
  114    HA2  GLY  20           2HA      GLY  20   1.652  12.875   0.974
  115    HA3  GLY  20           3HA      GLY  20   0.732  12.443   2.405
  116    H    LEU  21           H        LEU  21   2.061   9.851   2.715
  117    HA   LEU  21           HA       LEU  21   4.397  10.763   4.152
  118    HB2  LEU  21           2HB      LEU  21   3.374   7.938   3.900
  119    HB3  LEU  21           3HB      LEU  21   4.449   8.564   5.125
  120    HG   LEU  21           HG       LEU  21   1.585   9.476   4.848
  121   HD11  LEU  21          1HD1      LEU  21   1.672   7.051   5.227
  122   HD12  LEU  21          2HD1      LEU  21   1.012   7.922   6.609
  123   HD13  LEU  21          3HD1      LEU  21   2.668   7.321   6.656
  124   HD21  LEU  21          3HD2      LEU  21   3.559   9.640   7.131
  125   HD22  LEU  21          1HD2      LEU  21   1.881  10.177   7.183
  126   HD23  LEU  21          2HD2      LEU  21   3.031  10.980   6.113
  127    H    GLY  22           H        GLY  22   3.833   8.088   1.829
  128    HA2  GLY  22           2HA      GLY  22   5.360   8.295  -0.209
  129    HA3  GLY  22           3HA      GLY  22   6.646   8.339   0.984
  130    H    LEU  23           H        LEU  23   3.760   6.290   1.145
  131    HA   LEU  23           HA       LEU  23   5.478   3.939   1.293
  132    HB2  LEU  23           2HB      LEU  23   2.565   4.445   1.859
  133    HB3  LEU  23           3HB      LEU  23   3.154   2.812   1.666
  134    HG   LEU  23           HG       LEU  23   2.920   3.406   4.019
  135   HD11  LEU  23          1HD1      LEU  23   5.859   3.215   3.462
  136   HD12  LEU  23          2HD1      LEU  23   4.752   1.865   3.217
  137   HD13  LEU  23          3HD1      LEU  23   4.949   2.564   4.823
  138   HD21  LEU  23          3HD2      LEU  23   3.229   5.726   4.100
  139   HD22  LEU  23          1HD2      LEU  23   4.827   5.624   3.361
  140   HD23  LEU  23          2HD2      LEU  23   4.576   5.035   5.005
  141    H    THR  24           H        THR  24   5.075   2.031   0.078
  142    HA   THR  24           HA       THR  24   3.525   2.276  -2.384
  143    HB   THR  24           HB       THR  24   5.728   3.008  -3.099
  144    HG1  THR  24           HG1      THR  24   4.413   1.209  -4.258
  145   HG21  THR  24          3HG2      THR  24   6.755   0.446  -1.866
  146   HG22  THR  24          1HG2      THR  24   7.196   2.098  -1.433
  147   HG23  THR  24          2HG2      THR  24   7.687   1.435  -2.992
  148    H    CYS  25           H        CYS  25   2.428   0.447  -2.825
  149    HA   CYS  25           HA       CYS  25   2.828  -1.864  -1.118
  150    HB2  CYS  25           2HB      CYS  25   0.639  -0.727  -2.598
  151    HB3  CYS  25           3HB      CYS  25   0.835  -2.420  -3.033
  152    H    ILE  26           H        ILE  26   3.970  -3.591  -1.634
  153    HA   ILE  26           HA       ILE  26   4.558  -4.123  -4.471
  154    HB   ILE  26           HB       ILE  26   6.454  -4.603  -2.163
  155   HG12  ILE  26          2HG1      ILE  26   6.189  -2.190  -2.539
  156   HG13  ILE  26          3HG1      ILE  26   7.793  -2.722  -3.000
  157   HG21  ILE  26          1HG2      ILE  26   8.119  -5.191  -3.755
  158   HG22  ILE  26          2HG2      ILE  26   7.079  -4.733  -5.105
  159   HG23  ILE  26          3HG2      ILE  26   6.675  -6.140  -4.121
  160   HD11  ILE  26          3HD1      ILE  26   7.087  -2.661  -5.375
  161   HD12  ILE  26          1HD1      ILE  26   6.971  -1.091  -4.578
  162   HD13  ILE  26          2HD1      ILE  26   5.516  -2.046  -4.863
  163    HA   PRO  27           HA       PRO  27   4.610  -5.523  -5.985
  164    HB2  PRO  27           2HB      PRO  27   2.781  -6.969  -7.350
  165    HB3  PRO  27           3HB      PRO  27   4.363  -7.618  -6.888
  166    HG2  PRO  27           2HG      PRO  27   1.711  -8.048  -5.604
  167    HG3  PRO  27           3HG      PRO  27   3.009  -9.216  -5.926
  168    HD2  PRO  27           2HD      PRO  27   2.599  -8.088  -3.484
  169    HD3  PRO  27           3HD      PRO  27   4.193  -8.614  -4.057
  170    H    GLY  28           H        GLY  28   1.472  -5.968  -4.438
  171    HA2  GLY  28           2HA      GLY  28  -0.029  -4.166  -4.054
  172    HA3  GLY  28           3HA      GLY  28   0.617  -3.356  -5.472
  173    H    ASN  29           H        ASN  29   0.375  -5.976  -7.007
  174    HA   ASN  29           HA       ASN  29  -2.537  -5.818  -7.467
  175    HB2  ASN  29           2HB      ASN  29  -0.277  -6.346  -9.406
  176    HB3  ASN  29           3HB      ASN  29  -1.970  -6.609  -9.810
  177   HD21  ASN  29          1HD2      ASN  29   0.488  -4.254  -9.130
  178   HD22  ASN  29          2HD2      ASN  29  -0.390  -2.876  -9.693
  179    HA   PRO  30           HA       PRO  30  -4.404  -6.849  -7.252
  180    HB2  PRO  30           2HB      PRO  30  -5.694  -8.180  -5.253
  181    HB3  PRO  30           3HB      PRO  30  -5.755  -8.690  -6.951
  182    HG2  PRO  30           2HG      PRO  30  -4.092  -9.758  -4.723
  183    HG3  PRO  30           3HG      PRO  30  -4.960 -10.630  -6.003
  184    HD2  PRO  30           2HD      PRO  30  -2.295 -10.187  -6.103
  185    HD3  PRO  30           3HD      PRO  30  -3.307 -10.274  -7.556
  186    H    ASP  31           H        ASP  31  -2.300  -7.875  -4.646
  187    HA   ASP  31           HA       ASP  31  -2.401  -5.245  -3.445
  188    HB2  ASP  31           2HB      ASP  31  -2.785  -6.171  -1.126
  189    HB3  ASP  31           3HB      ASP  31  -4.199  -6.183  -2.171
  190    H    GLY  32           H        GLY  32  -0.652  -4.800  -2.057
  191    HA2  GLY  32           2HA      GLY  32   1.444  -6.855  -1.874
  192    HA3  GLY  32           3HA      GLY  32   1.826  -5.314  -2.627
  193    H    THR  33           H        THR  33   3.481  -5.396  -0.850
  194    HA   THR  33           HA       THR  33   2.420  -4.619   1.763
  195    HB   THR  33           HB       THR  33   5.040  -4.671   2.234
  196    HG1  THR  33           HG1      THR  33   4.723  -6.600   0.165
  197   HG21  THR  33          3HG2      THR  33   3.368  -6.006   3.398
  198   HG22  THR  33          1HG2      THR  33   4.773  -6.991   2.987
  199   HG23  THR  33          2HG2      THR  33   3.293  -7.123   2.034
  200    H    CYS  34           H        CYS  34   2.615  -2.671   2.613
  201    HA   CYS  34           HA       CYS  34   3.426  -0.492   0.908
  202    HB2  CYS  34           2HB      CYS  34   2.231  -0.620   3.676
  203    HB3  CYS  34           3HB      CYS  34   2.685   0.899   2.911
  204    H    TYR  35           H        TYR  35   5.477  -0.091   0.681
  205    HA   TYR  35           HA       TYR  35   7.254  -0.089   3.029
  206    HB2  TYR  35           2HB      TYR  35   7.783  -0.649   0.118
  207    HB3  TYR  35           3HB      TYR  35   9.086  -0.189   1.208
  208    HD1  TYR  35           HD1      TYR  35   9.399  -1.625   3.326
  209    HD2  TYR  35           HD2      TYR  35   7.135  -2.891  -0.052
  210    HE1  TYR  35           HE1      TYR  35   9.626  -3.952   4.056
  211    HE2  TYR  35           HE2      TYR  35   7.352  -5.225   0.677
  212    HH   TYR  35           HH       TYR  35   8.460  -6.101   3.762
  213    H    TYR  36           H        TYR  36   8.681   1.628   3.338
  214    HA   TYR  36           HA       TYR  36   7.701   4.174   2.395
  215    HB2  TYR  36           2HB      TYR  36   9.484   3.237   4.519
  216    HB3  TYR  36           3HB      TYR  36  10.031   4.729   3.762
  217    HD1  TYR  36           HD2      TYR  36   8.273   6.638   3.565
  218    HD2  TYR  36           HD1      TYR  36   7.861   3.312   6.190
  219    HE1  TYR  36           HE2      TYR  36   6.679   7.918   4.928
  220    HE2  TYR  36           HE1      TYR  36   6.263   4.585   7.556
  221    HH   TYR  36           HH       TYR  36   4.848   7.481   6.517
  222    H    LEU  37           H        LEU  37   8.455   5.386   0.805
  223    HA   LEU  37           HA       LEU  37  10.578   4.395  -0.874
  224    HB2  LEU  37           2HB      LEU  37   8.758   6.788  -1.118
  225    HB3  LEU  37           3HB      LEU  37   9.977   6.375  -2.307
  226    HG   LEU  37           HG       LEU  37   7.920   4.327  -1.591
  227   HD11  LEU  37          1HD1      LEU  37   6.423   5.233  -3.310
  228   HD12  LEU  37          2HD1      LEU  37   7.465   6.648  -3.460
  229   HD13  LEU  37          3HD1      LEU  37   6.610   6.339  -1.949
  230   HD21  LEU  37          3HD2      LEU  37   9.766   3.721  -3.072
  231   HD22  LEU  37          1HD2      LEU  37   9.342   5.047  -4.154
  232   HD23  LEU  37          2HD2      LEU  37   8.228   3.698  -3.935
  Start of MODEL   17
    1    H1   PCA   1           H1       PCA   1 -10.273   7.114   3.988
    2    HA   PCA   1           HA       PCA   1 -10.436   4.747   3.808
    3    HB2  PCA   1           3HB      PCA   1 -12.617   4.638   2.814
    4    HB3  PCA   1           2HB      PCA   1 -11.700   4.319   1.290
    5    HG2  PCA   1           3HG      PCA   1 -13.692   5.994   2.741
    6    HG3  PCA   1           2HG      PCA   1 -12.990   6.432   1.162
    7    H    GLY   2           H        GLY   2  -8.810   3.505   3.005
    8    HA2  GLY   2           2HA      GLY   2  -7.417   2.656   1.270
    9    HA3  GLY   2           3HA      GLY   2  -7.591   4.183   0.419
   10    H    CYS   3           H        CYS   3  -6.545   3.208   3.681
   11    HA   CYS   3           HA       CYS   3  -3.957   4.512   3.213
   12    HB2  CYS   3           2HB      CYS   3  -5.787   5.887   4.576
   13    HB3  CYS   3           3HB      CYS   3  -5.231   4.863   5.895
   14    H    ALA   4           H        ALA   4  -2.502   2.966   3.450
   15    HA   ALA   4           HA       ALA   4  -2.845   0.999   5.618
   16    HB1  ALA   4           3HB      ALA   4  -2.868   0.275   3.104
   17    HB2  ALA   4           1HB      ALA   4  -2.004  -0.688   4.303
   18    HB3  ALA   4           2HB      ALA   4  -1.117   0.420   3.260
   19    H    PHE   5           H        PHE   5  -1.024   0.419   6.836
   20    HA   PHE   5           HA       PHE   5   1.060   2.462   6.947
   21    HB2  PHE   5           2HB      PHE   5   0.249   0.252   8.845
   22    HB3  PHE   5           3HB      PHE   5   1.659   1.271   9.111
   23    HD1  PHE   5           HD2      PHE   5   1.415   3.598   9.726
   24    HD2  PHE   5           HD1      PHE   5  -1.991   1.128   9.086
   25    HE1  PHE   5           HE2      PHE   5  -0.006   5.278  10.829
   26    HE2  PHE   5           HE1      PHE   5  -3.418   2.803  10.187
   27    HZ   PHE   5           HZ       PHE   5  -2.426   4.881  11.061
   28    H    GLU   6           H        GLU   6   3.329   1.580   7.621
   29    HA   GLU   6           HA       GLU   6   4.363   0.062   5.468
   30    HB2  GLU   6           2HB      GLU   6   5.569   1.810   6.893
   31    HB3  GLU   6           3HB      GLU   6   5.802   0.536   8.077
   32    HG2  GLU   6           2HG      GLU   6   6.951  -0.784   6.270
   33    HG3  GLU   6           3HG      GLU   6   6.880   0.666   5.271
   34    H    GLY   7           H        GLY   7   4.935  -2.013   5.257
   35    HA2  GLY   7           2HA      GLY   7   5.323  -4.243   5.824
   36    HA3  GLY   7           3HA      GLY   7   4.962  -3.856   7.498
   37    H    GLU   8           H        GLU   8   2.455  -2.558   5.917
   38    HA   GLU   8           HA       GLU   8   0.739  -4.869   6.407
   39    HB2  GLU   8           2HB      GLU   8   0.360  -2.411   7.239
   40    HB3  GLU   8           3HB      GLU   8  -0.265  -2.152   5.617
   41    HG2  GLU   8           2HG      GLU   8  -1.938  -3.879   5.964
   42    HG3  GLU   8           3HG      GLU   8  -1.290  -4.202   7.571
   43    H    SER   9           H        SER   9  -0.934  -5.454   4.876
   44    HA   SER   9           HA       SER   9   0.015  -5.266   2.117
   45    HB2  SER   9           2HB      SER   9  -2.024  -7.122   3.370
   46    HB3  SER   9           3HB      SER   9  -1.492  -7.182   1.690
   47    HG   SER   9           HG       SER   9   0.717  -7.294   2.861
   48    H    CYS  10           H        CYS  10  -0.844  -3.790   0.845
   49    HA   CYS  10           HA       CYS  10  -3.680  -3.073   1.197
   50    HB2  CYS  10           2HB      CYS  10  -3.243  -0.832   0.812
   51    HB3  CYS  10           3HB      CYS  10  -1.799  -1.315   1.689
   52    H    ASN  11           H        ASN  11  -4.853  -2.520  -0.725
   53    HA   ASN  11           HA       ASN  11  -3.917  -3.982  -3.085
   54    HB2  ASN  11           2HB      ASN  11  -6.715  -3.016  -2.501
   55    HB3  ASN  11           3HB      ASN  11  -6.226  -4.124  -3.774
   56   HD21  ASN  11          1HD2      ASN  11  -6.466  -3.732  -0.295
   57   HD22  ASN  11          2HD2      ASN  11  -6.623  -5.416   0.073
   58    H    VAL  12           H        VAL  12  -3.714  -3.000  -5.056
   59    HA   VAL  12           HA       VAL  12  -3.737  -0.087  -4.986
   60    HB   VAL  12           HB       VAL  12  -2.483  -0.148  -7.104
   61   HG11  VAL  12          1HG1      VAL  12  -1.229  -0.110  -5.054
   62   HG12  VAL  12          2HG1      VAL  12  -0.405  -1.164  -6.206
   63   HG13  VAL  12          3HG1      VAL  12  -1.357  -1.862  -4.894
   64   HG21  VAL  12          3HG2      VAL  12  -1.805  -2.119  -8.196
   65   HG22  VAL  12          1HG2      VAL  12  -3.520  -2.359  -7.855
   66   HG23  VAL  12          2HG2      VAL  12  -2.300  -3.140  -6.846
   67    H    GLU  13           H        GLU  13  -6.182  -1.818  -5.232
   68    HA   GLU  13           HA       GLU  13  -7.220  -0.827  -7.806
   69    HB2  GLU  13           2HB      GLU  13  -8.103  -3.181  -6.131
   70    HB3  GLU  13           3HB      GLU  13  -8.890  -2.657  -7.609
   71    HG2  GLU  13           2HG      GLU  13  -5.991  -3.406  -7.608
   72    HG3  GLU  13           3HG      GLU  13  -7.246  -4.644  -7.668
   73    H    PHE  14           H        PHE  14  -7.755  -0.986  -4.338
   74    HA   PHE  14           HA       PHE  14  -9.826   1.057  -4.536
   75    HB2  PHE  14           2HB      PHE  14 -11.229  -0.334  -2.836
   76    HB3  PHE  14           3HB      PHE  14 -11.302  -0.753  -4.542
   77    HD1  PHE  14           HD1      PHE  14 -10.235  -2.766  -5.386
   78    HD2  PHE  14           HD2      PHE  14 -10.205  -1.814  -1.245
   79    HE1  PHE  14           HE1      PHE  14  -9.495  -5.053  -4.873
   80    HE2  PHE  14           HE2      PHE  14  -9.466  -4.099  -0.719
   81    HZ   PHE  14           HZ       PHE  14  -9.095  -5.707  -2.541
   82    H    TYR  15           H        TYR  15  -7.921  -0.995  -2.328
   83    HA   TYR  15           HA       TYR  15  -7.821   1.259  -0.431
   84    HB2  TYR  15           2HB      TYR  15  -8.950  -0.951   0.284
   85    HB3  TYR  15           3HB      TYR  15  -7.322  -1.607   0.340
   86    HD1  TYR  15           HD1      TYR  15  -5.669  -0.662   1.995
   87    HD2  TYR  15           HD2      TYR  15  -9.781   0.450   2.014
   88    HE1  TYR  15           HE1      TYR  15  -5.419   0.202   4.279
   89    HE2  TYR  15           HE2      TYR  15  -9.537   1.320   4.299
   90    HH   TYR  15           HH       TYR  15  -6.520   1.819   5.768
   91    HA   PRO  16           HA       PRO  16  -3.443   0.581  -1.985
   92    HB2  PRO  16           2HB      PRO  16  -2.873   3.196  -2.480
   93    HB3  PRO  16           3HB      PRO  16  -3.709   2.167  -3.660
   94    HG2  PRO  16           2HG      PRO  16  -4.853   4.173  -1.769
   95    HG3  PRO  16           3HG      PRO  16  -5.244   3.881  -3.477
   96    HD2  PRO  16           2HD      PRO  16  -6.768   2.930  -1.447
   97    HD3  PRO  16           3HD      PRO  16  -6.601   2.097  -3.001
   98    H    CYS  17           H        CYS  17  -1.427   2.150  -1.262
   99    HA   CYS  17           HA       CYS  17  -1.274   1.902   1.568
  100    HB2  CYS  17           2HB      CYS  17   0.578   3.167  -0.461
  101    HB3  CYS  17           3HB      CYS  17   0.957   3.050   1.249
  102    H    CYS  18           H        CYS  18  -0.085   4.008   2.694
  103    HA   CYS  18           HA       CYS  18  -2.172   6.005   2.781
  104    HB2  CYS  18           2HB      CYS  18   0.210   5.368   4.478
  105    HB3  CYS  18           3HB      CYS  18  -0.559   6.947   4.617
  106    HA   PRO  19           HA       PRO  19   0.201   8.668   0.016
  107    HB2  PRO  19           2HB      PRO  19  -1.705  10.559  -0.355
  108    HB3  PRO  19           3HB      PRO  19  -1.775   8.970  -1.141
  109    HG2  PRO  19           2HG      PRO  19  -3.291   9.983   1.199
  110    HG3  PRO  19           3HG      PRO  19  -3.804   8.883  -0.094
  111    HD2  PRO  19           2HD      PRO  19  -3.028   8.094   2.447
  112    HD3  PRO  19           3HD      PRO  19  -3.061   7.047   1.017
  113    H    GLY  20           H        GLY  20   1.135  10.773   0.045
  114    HA2  GLY  20           2HA      GLY  20   1.651  12.868   0.991
  115    HA3  GLY  20           3HA      GLY  20   0.730  12.429   2.420
  116    H    LEU  21           H        LEU  21   2.059   9.839   2.723
  117    HA   LEU  21           HA       LEU  21   4.395  10.747   4.166
  118    HB2  LEU  21           2HB      LEU  21   3.372   7.922   3.904
  119    HB3  LEU  21           3HB      LEU  21   4.445   8.545   5.134
  120    HG   LEU  21           HG       LEU  21   1.581   9.457   4.855
  121   HD11  LEU  21          1HD1      LEU  21   1.668   7.031   5.226
  122   HD12  LEU  21          2HD1      LEU  21   1.005   7.898   6.610
  123   HD13  LEU  21          3HD1      LEU  21   2.663   7.297   6.657
  124   HD21  LEU  21          3HD2      LEU  21   3.027  10.956   6.127
  125   HD22  LEU  21          1HD2      LEU  21   3.549   9.612   7.144
  126   HD23  LEU  21          2HD2      LEU  21   1.871  10.155   7.190
  127    H    GLY  22           H        GLY  22   3.825   8.089   1.826
  128    HA2  GLY  22           2HA      GLY  22   5.352   8.294  -0.208
  129    HA3  GLY  22           3HA      GLY  22   6.640   8.341   0.982
  130    H    LEU  23           H        LEU  23   3.757   6.285   1.144
  131    HA   LEU  23           HA       LEU  23   5.481   3.937   1.291
  132    HB2  LEU  23           2HB      LEU  23   2.564   4.435   1.853
  133    HB3  LEU  23           3HB      LEU  23   3.158   2.804   1.658
  134    HG   LEU  23           HG       LEU  23   2.920   3.391   4.011
  135   HD11  LEU  23          1HD1      LEU  23   5.860   3.215   3.462
  136   HD12  LEU  23          2HD1      LEU  23   4.761   1.861   3.208
  137   HD13  LEU  23          3HD1      LEU  23   4.949   2.554   4.818
  138   HD21  LEU  23          3HD2      LEU  23   4.558   5.027   5.006
  139   HD22  LEU  23          1HD2      LEU  23   3.219   5.714   4.088
  140   HD23  LEU  23          2HD2      LEU  23   4.824   5.615   3.365
  141    H    THR  24           H        THR  24   5.080   2.028   0.076
  142    HA   THR  24           HA       THR  24   3.536   2.272  -2.390
  143    HB   THR  24           HB       THR  24   5.740   3.002  -3.102
  144    HG1  THR  24           HG1      THR  24   4.849   1.795  -4.685
  145   HG21  THR  24          3HG2      THR  24   7.203   2.099  -1.429
  146   HG22  THR  24          1HG2      THR  24   7.701   1.434  -2.984
  147   HG23  THR  24          2HG2      THR  24   6.767   0.446  -1.859
  148    H    CYS  25           H        CYS  25   2.431   0.446  -2.819
  149    HA   CYS  25           HA       CYS  25   2.832  -1.863  -1.112
  150    HB2  CYS  25           2HB      CYS  25   0.646  -0.725  -2.589
  151    HB3  CYS  25           3HB      CYS  25   0.838  -2.416  -3.027
  152    H    ILE  26           H        ILE  26   3.973  -3.596  -1.627
  153    HA   ILE  26           HA       ILE  26   4.558  -4.124  -4.465
  154    HB   ILE  26           HB       ILE  26   6.454  -4.620  -2.161
  155   HG12  ILE  26          2HG1      ILE  26   6.197  -2.205  -2.519
  156   HG13  ILE  26          3HG1      ILE  26   7.797  -2.737  -2.993
  157   HG21  ILE  26          1HG2      ILE  26   7.104  -4.714  -5.099
  158   HG22  ILE  26          2HG2      ILE  26   6.649  -6.134  -4.158
  159   HG23  ILE  26          3HG2      ILE  26   8.108  -5.230  -3.742
  160   HD11  ILE  26          3HD1      ILE  26   6.970  -1.092  -4.555
  161   HD12  ILE  26          1HD1      ILE  26   5.510  -2.043  -4.838
  162   HD13  ILE  26          2HD1      ILE  26   7.077  -2.656  -5.364
  163    HA   PRO  27           HA       PRO  27   4.585  -5.511  -5.986
  164    HB2  PRO  27           2HB      PRO  27   2.730  -6.935  -7.341
  165    HB3  PRO  27           3HB      PRO  27   4.315  -7.596  -6.902
  166    HG2  PRO  27           2HG      PRO  27   1.674  -8.023  -5.592
  167    HG3  PRO  27           3HG      PRO  27   2.962  -9.194  -5.938
  168    HD2  PRO  27           2HD      PRO  27   2.588  -8.086  -3.482
  169    HD3  PRO  27           3HD      PRO  27   4.173  -8.613  -4.080
  170    H    GLY  28           H        GLY  28   1.467  -5.943  -4.400
  171    HA2  GLY  28           2HA      GLY  28  -0.021  -4.143  -3.985
  172    HA3  GLY  28           3HA      GLY  28   0.615  -3.317  -5.399
  173    H    ASN  29           H        ASN  29   0.345  -5.892  -6.985
  174    HA   ASN  29           HA       ASN  29  -2.579  -5.758  -7.343
  175    HB2  ASN  29           2HB      ASN  29  -2.137  -6.336  -9.761
  176    HB3  ASN  29           3HB      ASN  29  -1.577  -4.747  -9.263
  177   HD21  ASN  29          1HD2      ASN  29   0.637  -4.353  -9.113
  178   HD22  ASN  29          2HD2      ASN  29   1.805  -5.387  -9.857
  179    HA   PRO  30           HA       PRO  30  -4.452  -6.872  -7.222
  180    HB2  PRO  30           2HB      PRO  30  -5.614  -8.299  -5.200
  181    HB3  PRO  30           3HB      PRO  30  -5.744  -8.747  -6.911
  182    HG2  PRO  30           2HG      PRO  30  -3.950  -9.853  -4.805
  183    HG3  PRO  30           3HG      PRO  30  -4.850 -10.697  -6.080
  184    HD2  PRO  30           2HD      PRO  30  -2.210 -10.187  -6.287
  185    HD3  PRO  30           3HD      PRO  30  -3.286 -10.213  -7.697
  186    H    ASP  31           H        ASP  31  -2.282  -7.897  -4.653
  187    HA   ASP  31           HA       ASP  31  -2.408  -5.280  -3.426
  188    HB2  ASP  31           2HB      ASP  31  -2.775  -6.230  -1.113
  189    HB3  ASP  31           3HB      ASP  31  -4.192  -6.245  -2.153
  190    H    GLY  32           H        GLY  32  -0.663  -4.837  -2.023
  191    HA2  GLY  32           2HA      GLY  32   1.451  -6.871  -1.856
  192    HA3  GLY  32           3HA      GLY  32   1.821  -5.331  -2.617
  193    H    THR  33           H        THR  33   3.484  -5.409  -0.841
  194    HA   THR  33           HA       THR  33   2.424  -4.620   1.769
  195    HB   THR  33           HB       THR  33   5.042  -4.671   2.243
  196    HG1  THR  33           HG1      THR  33   5.755  -6.643   0.980
  197   HG21  THR  33          3HG2      THR  33   3.299  -7.126   2.045
  198   HG22  THR  33          1HG2      THR  33   3.370  -6.006   3.407
  199   HG23  THR  33          2HG2      THR  33   4.776  -6.991   3.000
  200    H    CYS  34           H        CYS  34   2.620  -2.672   2.614
  201    HA   CYS  34           HA       CYS  34   3.430  -0.496   0.906
  202    HB2  CYS  34           2HB      CYS  34   2.235  -0.621   3.675
  203    HB3  CYS  34           3HB      CYS  34   2.690   0.897   2.908
  204    H    TYR  35           H        TYR  35   5.481  -0.093   0.678
  205    HA   TYR  35           HA       TYR  35   7.259  -0.089   3.024
  206    HB2  TYR  35           2HB      TYR  35   7.786  -0.653   0.114
  207    HB3  TYR  35           3HB      TYR  35   9.089  -0.191   1.202
  208    HD1  TYR  35           HD1      TYR  35   9.400  -1.623   3.324
  209    HD2  TYR  35           HD2      TYR  35   7.142  -2.896  -0.055
  210    HE1  TYR  35           HE1      TYR  35   9.628  -3.948   4.059
  211    HE2  TYR  35           HE2      TYR  35   7.359  -5.229   0.679
  212    HH   TYR  35           HH       TYR  35   8.861  -6.592   2.072
  213    H    TYR  36           H        TYR  36   8.676   1.632   3.338
  214    HA   TYR  36           HA       TYR  36   7.698   4.175   2.389
  215    HB2  TYR  36           2HB      TYR  36   9.479   3.242   4.516
  216    HB3  TYR  36           3HB      TYR  36  10.025   4.733   3.758
  217    HD1  TYR  36           HD2      TYR  36   8.274   6.645   3.563
  218    HD2  TYR  36           HD1      TYR  36   7.846   3.314   6.178
  219    HE1  TYR  36           HE2      TYR  36   6.679   7.924   4.923
  220    HE2  TYR  36           HE1      TYR  36   6.244   4.586   7.542
  221    HH   TYR  36           HH       TYR  36   5.677   6.931   8.009
  222    H    LEU  37           H        LEU  37   8.453   5.389   0.802
  223    HA   LEU  37           HA       LEU  37  10.579   4.400  -0.876
  224    HB2  LEU  37           2HB      LEU  37   8.757   6.791  -1.122
  225    HB3  LEU  37           3HB      LEU  37   9.976   6.378  -2.310
  226    HG   LEU  37           HG       LEU  37   7.921   4.328  -1.593
  227   HD11  LEU  37          1HD1      LEU  37   7.466   6.647  -3.466
  228   HD12  LEU  37          2HD1      LEU  37   6.610   6.338  -1.954
  229   HD13  LEU  37          3HD1      LEU  37   6.426   5.230  -3.315
  230   HD21  LEU  37          3HD2      LEU  37   8.232   3.696  -3.937
  231   HD22  LEU  37          1HD2      LEU  37   9.769   3.722  -3.073
  232   HD23  LEU  37          2HD2      LEU  37   9.345   5.047  -4.157
  Start of MODEL   18
    1    H1   PCA   1           H1       PCA   1 -11.186   3.092   2.988
    2    HA   PCA   1           HA       PCA   1 -11.383   5.751   3.053
    3    HB2  PCA   1           3HB      PCA   1 -10.681   6.039   5.330
    4    HB3  PCA   1           2HB      PCA   1  -9.018   6.028   4.623
    5    HG2  PCA   1           3HG      PCA   1 -10.950   4.852   6.562
    6    HG3  PCA   1           2HG      PCA   1  -9.375   4.118   6.162
    7    H    GLY   2           H        GLY   2  -8.809   3.293   3.123
    8    HA2  GLY   2           2HA      GLY   2  -7.453   2.742   1.260
    9    HA3  GLY   2           3HA      GLY   2  -7.743   4.344   0.601
   10    H    CYS   3           H        CYS   3  -6.546   3.215   3.758
   11    HA   CYS   3           HA       CYS   3  -3.974   4.527   3.251
   12    HB2  CYS   3           2HB      CYS   3  -5.769   5.912   4.650
   13    HB3  CYS   3           3HB      CYS   3  -5.193   4.886   5.957
   14    H    ALA   4           H        ALA   4  -2.518   2.976   3.470
   15    HA   ALA   4           HA       ALA   4  -2.856   0.991   5.623
   16    HB1  ALA   4           3HB      ALA   4  -1.107   0.446   3.272
   17    HB2  ALA   4           1HB      ALA   4  -2.856   0.308   3.095
   18    HB3  ALA   4           2HB      ALA   4  -2.009  -0.675   4.289
   19    H    PHE   5           H        PHE   5  -1.040   0.395   6.838
   20    HA   PHE   5           HA       PHE   5   1.044   2.439   6.990
   21    HB2  PHE   5           2HB      PHE   5  -0.382   1.451   8.970
   22    HB3  PHE   5           3HB      PHE   5   0.798   0.149   8.917
   23    HD1  PHE   5           HD1      PHE   5   0.338   3.759   9.509
   24    HD2  PHE   5           HD2      PHE   5   3.000   0.445   9.757
   25    HE1  PHE   5           HE1      PHE   5   1.865   5.094  10.899
   26    HE2  PHE   5           HE2      PHE   5   4.532   1.776  11.146
   27    HZ   PHE   5           HZ       PHE   5   3.966   4.104  11.720
   28    H    GLU   6           H        GLU   6   3.315   1.597   7.593
   29    HA   GLU   6           HA       GLU   6   4.340   0.056   5.465
   30    HB2  GLU   6           2HB      GLU   6   5.549   1.804   6.886
   31    HB3  GLU   6           3HB      GLU   6   5.786   0.529   8.070
   32    HG2  GLU   6           2HG      GLU   6   6.926  -0.790   6.254
   33    HG3  GLU   6           3HG      GLU   6   6.858   0.664   5.261
   34    H    GLY   7           H        GLY   7   4.918  -2.017   5.254
   35    HA2  GLY   7           2HA      GLY   7   5.310  -4.247   5.824
   36    HA3  GLY   7           3HA      GLY   7   4.944  -3.859   7.497
   37    H    GLU   8           H        GLU   8   2.439  -2.566   5.912
   38    HA   GLU   8           HA       GLU   8   0.725  -4.881   6.395
   39    HB2  GLU   8           2HB      GLU   8   0.339  -2.427   7.232
   40    HB3  GLU   8           3HB      GLU   8  -0.278  -2.162   5.609
   41    HG2  GLU   8           2HG      GLU   8  -1.954  -3.884   5.939
   42    HG3  GLU   8           3HG      GLU   8  -1.313  -4.222   7.547
   43    H    SER   9           H        SER   9  -0.947  -5.461   4.859
   44    HA   SER   9           HA       SER   9   0.009  -5.270   2.102
   45    HB2  SER   9           2HB      SER   9  -0.421  -7.518   3.131
   46    HB3  SER   9           3HB      SER   9  -2.131  -7.096   3.223
   47    HG   SER   9           HG       SER   9  -0.675  -7.020   0.798
   48    H    CYS  10           H        CYS  10  -0.842  -3.778   0.841
   49    HA   CYS  10           HA       CYS  10  -3.678  -3.055   1.191
   50    HB2  CYS  10           2HB      CYS  10  -3.232  -0.814   0.813
   51    HB3  CYS  10           3HB      CYS  10  -1.789  -1.305   1.690
   52    H    ASN  11           H        ASN  11  -4.861  -2.528  -0.717
   53    HA   ASN  11           HA       ASN  11  -3.923  -3.971  -3.087
   54    HB2  ASN  11           2HB      ASN  11  -6.720  -3.002  -2.500
   55    HB3  ASN  11           3HB      ASN  11  -6.232  -4.109  -3.774
   56   HD21  ASN  11          1HD2      ASN  11  -6.463  -3.721  -0.292
   57   HD22  ASN  11          2HD2      ASN  11  -6.626  -5.404   0.074
   58    H    VAL  12           H        VAL  12  -3.712  -2.983  -5.051
   59    HA   VAL  12           HA       VAL  12  -3.741  -0.066  -4.981
   60    HB   VAL  12           HB       VAL  12  -2.462  -0.117  -7.071
   61   HG11  VAL  12          1HG1      VAL  12  -1.369  -1.912  -4.909
   62   HG12  VAL  12          2HG1      VAL  12  -1.217  -0.157  -5.009
   63   HG13  VAL  12          3HG1      VAL  12  -0.405  -1.181  -6.195
   64   HG21  VAL  12          3HG2      VAL  12  -2.363  -3.118  -6.878
   65   HG22  VAL  12          1HG2      VAL  12  -1.791  -2.085  -8.189
   66   HG23  VAL  12          2HG2      VAL  12  -3.524  -2.273  -7.901
   67    H    GLU  13           H        GLU  13  -6.169  -1.834  -5.243
   68    HA   GLU  13           HA       GLU  13  -7.207  -0.851  -7.819
   69    HB2  GLU  13           2HB      GLU  13  -8.101  -3.196  -6.135
   70    HB3  GLU  13           3HB      GLU  13  -8.861  -2.689  -7.633
   71    HG2  GLU  13           2HG      GLU  13  -5.962  -3.455  -7.553
   72    HG3  GLU  13           3HG      GLU  13  -7.230  -4.676  -7.656
   73    H    PHE  14           H        PHE  14  -7.724  -0.960  -4.350
   74    HA   PHE  14           HA       PHE  14  -9.802   1.069  -4.562
   75    HB2  PHE  14           2HB      PHE  14 -11.216  -0.309  -2.861
   76    HB3  PHE  14           3HB      PHE  14 -11.283  -0.736  -4.566
   77    HD1  PHE  14           HD2      PHE  14 -10.226  -2.758  -5.395
   78    HD2  PHE  14           HD1      PHE  14 -10.200  -1.785  -1.259
   79    HE1  PHE  14           HE2      PHE  14  -9.503  -5.047  -4.867
   80    HE2  PHE  14           HE1      PHE  14  -9.468  -4.069  -0.720
   81    HZ   PHE  14           HZ       PHE  14  -9.108  -5.690  -2.531
   82    H    TYR  15           H        TYR  15  -7.913  -0.981  -2.336
   83    HA   TYR  15           HA       TYR  15  -7.811   1.281  -0.447
   84    HB2  TYR  15           2HB      TYR  15  -8.950  -0.922   0.273
   85    HB3  TYR  15           3HB      TYR  15  -7.326  -1.584   0.333
   86    HD1  TYR  15           HD1      TYR  15  -5.674  -0.653   1.991
   87    HD2  TYR  15           HD2      TYR  15  -9.775   0.497   1.994
   88    HE1  TYR  15           HE1      TYR  15  -5.423   0.213   4.274
   89    HE2  TYR  15           HE2      TYR  15  -9.531   1.370   4.278
   90    HH   TYR  15           HH       TYR  15  -8.067   1.044   6.228
   91    HA   PRO  16           HA       PRO  16  -3.430   0.584  -1.985
   92    HB2  PRO  16           2HB      PRO  16  -2.852   3.196  -2.487
   93    HB3  PRO  16           3HB      PRO  16  -3.687   2.166  -3.665
   94    HG2  PRO  16           2HG      PRO  16  -4.829   4.180  -1.784
   95    HG3  PRO  16           3HG      PRO  16  -5.217   3.887  -3.492
   96    HD2  PRO  16           2HD      PRO  16  -6.750   2.945  -1.465
   97    HD3  PRO  16           3HD      PRO  16  -6.581   2.106  -3.016
   98    H    CYS  17           H        CYS  17  -1.414   2.158  -1.264
   99    HA   CYS  17           HA       CYS  17  -1.262   1.912   1.565
  100    HB2  CYS  17           2HB      CYS  17   0.588   3.173  -0.465
  101    HB3  CYS  17           3HB      CYS  17   0.968   3.062   1.247
  102    H    CYS  18           H        CYS  18  -0.075   4.015   2.692
  103    HA   CYS  18           HA       CYS  18  -2.162   6.010   2.786
  104    HB2  CYS  18           2HB      CYS  18   0.233   5.382   4.467
  105    HB3  CYS  18           3HB      CYS  18  -0.541   6.957   4.611
  106    HA   PRO  19           HA       PRO  19   0.185   8.672  -0.002
  107    HB2  PRO  19           2HB      PRO  19  -1.729  10.554  -0.369
  108    HB3  PRO  19           3HB      PRO  19  -1.798   8.963  -1.148
  109    HG2  PRO  19           2HG      PRO  19  -3.305   9.977   1.197
  110    HG3  PRO  19           3HG      PRO  19  -3.820   8.871  -0.091
  111    HD2  PRO  19           2HD      PRO  19  -3.029   8.094   2.449
  112    HD3  PRO  19           3HD      PRO  19  -3.065   7.041   1.022
  113    H    GLY  20           H        GLY  20   1.135  10.761   0.027
  114    HA2  GLY  20           2HA      GLY  20   1.644  12.868   0.958
  115    HA3  GLY  20           3HA      GLY  20   0.725  12.435   2.390
  116    H    LEU  21           H        LEU  21   2.060   9.846   2.703
  117    HA   LEU  21           HA       LEU  21   4.395  10.767   4.139
  118    HB2  LEU  21           2HB      LEU  21   3.380   7.939   3.893
  119    HB3  LEU  21           3HB      LEU  21   4.452   8.570   5.118
  120    HG   LEU  21           HG       LEU  21   1.585   9.472   4.837
  121   HD11  LEU  21          1HD1      LEU  21   1.016   7.921   6.602
  122   HD12  LEU  21          2HD1      LEU  21   2.676   7.330   6.655
  123   HD13  LEU  21          3HD1      LEU  21   1.684   7.048   5.224
  124   HD21  LEU  21          3HD2      LEU  21   3.560   9.652   7.118
  125   HD22  LEU  21          1HD2      LEU  21   1.877  10.182   7.170
  126   HD23  LEU  21          2HD2      LEU  21   3.023  10.986   6.097
  127    H    GLY  22           H        GLY  22   3.837   8.087   1.821
  128    HA2  GLY  22           2HA      GLY  22   5.367   8.294  -0.217
  129    HA3  GLY  22           3HA      GLY  22   6.650   8.340   0.979
  130    H    LEU  23           H        LEU  23   3.766   6.290   1.141
  131    HA   LEU  23           HA       LEU  23   5.486   3.939   1.288
  132    HB2  LEU  23           2HB      LEU  23   2.572   4.442   1.856
  133    HB3  LEU  23           3HB      LEU  23   3.163   2.810   1.665
  134    HG   LEU  23           HG       LEU  23   2.930   3.408   4.016
  135   HD11  LEU  23          1HD1      LEU  23   4.959   2.569   4.821
  136   HD12  LEU  23          2HD1      LEU  23   5.868   3.219   3.461
  137   HD13  LEU  23          3HD1      LEU  23   4.765   1.867   3.216
  138   HD21  LEU  23          3HD2      LEU  23   4.583   5.041   5.001
  139   HD22  LEU  23          1HD2      LEU  23   3.237   5.728   4.092
  140   HD23  LEU  23          2HD2      LEU  23   4.837   5.625   3.355
  141    H    THR  24           H        THR  24   5.083   2.030   0.074
  142    HA   THR  24           HA       THR  24   3.531   2.275  -2.387
  143    HB   THR  24           HB       THR  24   5.735   3.004  -3.104
  144    HG1  THR  24           HG1      THR  24   4.889   0.439  -3.915
  145   HG21  THR  24          3HG2      THR  24   7.692   1.431  -2.996
  146   HG22  THR  24          1HG2      THR  24   6.760   0.444  -1.868
  147   HG23  THR  24          2HG2      THR  24   7.202   2.096  -1.437
  148    H    CYS  25           H        CYS  25   2.435   0.445  -2.830
  149    HA   CYS  25           HA       CYS  25   2.833  -1.865  -1.121
  150    HB2  CYS  25           2HB      CYS  25   0.646  -0.729  -2.603
  151    HB3  CYS  25           3HB      CYS  25   0.840  -2.423  -3.034
  152    H    ILE  26           H        ILE  26   3.973  -3.595  -1.634
  153    HA   ILE  26           HA       ILE  26   4.563  -4.128  -4.471
  154    HB   ILE  26           HB       ILE  26   6.457  -4.608  -2.161
  155   HG12  ILE  26          2HG1      ILE  26   6.191  -2.195  -2.538
  156   HG13  ILE  26          3HG1      ILE  26   7.796  -2.729  -2.998
  157   HG21  ILE  26          1HG2      ILE  26   6.681  -6.146  -4.115
  158   HG22  ILE  26          2HG2      ILE  26   8.123  -5.194  -3.755
  159   HG23  ILE  26          3HG2      ILE  26   7.080  -4.741  -5.105
  160   HD11  ILE  26          3HD1      ILE  26   7.094  -2.667  -5.373
  161   HD12  ILE  26          1HD1      ILE  26   6.977  -1.097  -4.577
  162   HD13  ILE  26          2HD1      ILE  26   5.522  -2.052  -4.863
  163    HA   PRO  27           HA       PRO  27   4.617  -5.530  -5.983
  164    HB2  PRO  27           2HB      PRO  27   2.787  -6.977  -7.349
  165    HB3  PRO  27           3HB      PRO  27   4.369  -7.626  -6.883
  166    HG2  PRO  27           2HG      PRO  27   1.714  -8.053  -5.604
  167    HG3  PRO  27           3HG      PRO  27   3.011  -9.222  -5.922
  168    HD2  PRO  27           2HD      PRO  27   2.601  -8.091  -3.481
  169    HD3  PRO  27           3HD      PRO  27   4.194  -8.620  -4.053
  170    H    GLY  28           H        GLY  28   1.478  -5.971  -4.438
  171    HA2  GLY  28           2HA      GLY  28  -0.023  -4.169  -4.057
  172    HA3  GLY  28           3HA      GLY  28   0.624  -3.361  -5.476
  173    H    ASN  29           H        ASN  29   0.381  -5.984  -7.006
  174    HA   ASN  29           HA       ASN  29  -2.532  -5.824  -7.467
  175    HB2  ASN  29           2HB      ASN  29  -0.272  -6.359  -9.406
  176    HB3  ASN  29           3HB      ASN  29  -1.965  -6.619  -9.809
  177   HD21  ASN  29          1HD2      ASN  29  -3.331  -4.851 -10.042
  178   HD22  ASN  29          2HD2      ASN  29  -2.725  -3.247 -10.256
  179    HA   PRO  30           HA       PRO  30  -4.398  -6.853  -7.252
  180    HB2  PRO  30           2HB      PRO  30  -5.691  -8.178  -5.251
  181    HB3  PRO  30           3HB      PRO  30  -5.753  -8.692  -6.947
  182    HG2  PRO  30           2HG      PRO  30  -4.091  -9.758  -4.716
  183    HG3  PRO  30           3HG      PRO  30  -4.960 -10.632  -5.995
  184    HD2  PRO  30           2HD      PRO  30  -2.293 -10.191  -6.094
  185    HD3  PRO  30           3HD      PRO  30  -3.305 -10.279  -7.549
  186    H    ASP  31           H        ASP  31  -2.298  -7.876  -4.642
  187    HA   ASP  31           HA       ASP  31  -2.397  -5.244  -3.447
  188    HB2  ASP  31           2HB      ASP  31  -2.783  -6.165  -1.127
  189    HB3  ASP  31           3HB      ASP  31  -4.196  -6.177  -2.171
  190    H    GLY  32           H        GLY  32  -0.648  -4.798  -2.059
  191    HA2  GLY  32           2HA      GLY  32   1.445  -6.855  -1.872
  192    HA3  GLY  32           3HA      GLY  32   1.830  -5.314  -2.626
  193    H    THR  33           H        THR  33   3.483  -5.399  -0.847
  194    HA   THR  33           HA       THR  33   2.422  -4.618   1.764
  195    HB   THR  33           HB       THR  33   5.042  -4.670   2.237
  196    HG1  THR  33           HG1      THR  33   5.666  -6.706   0.939
  197   HG21  THR  33          3HG2      THR  33   4.775  -6.991   2.988
  198   HG22  THR  33          1HG2      THR  33   3.298  -7.123   2.034
  199   HG23  THR  33          2HG2      THR  33   3.369  -6.007   3.398
  200    H    CYS  34           H        CYS  34   2.621  -2.670   2.616
  201    HA   CYS  34           HA       CYS  34   3.433  -0.492   0.911
  202    HB2  CYS  34           2HB      CYS  34   2.236  -0.621   3.677
  203    HB3  CYS  34           3HB      CYS  34   2.696   0.898   2.918
  204    H    TYR  35           H        TYR  35   5.483  -0.091   0.682
  205    HA   TYR  35           HA       TYR  35   7.262  -0.091   3.027
  206    HB2  TYR  35           2HB      TYR  35   7.787  -0.652   0.116
  207    HB3  TYR  35           3HB      TYR  35   9.092  -0.191   1.203
  208    HD1  TYR  35           HD1      TYR  35   9.409  -1.626   3.321
  209    HD2  TYR  35           HD2      TYR  35   7.137  -2.894  -0.052
  210    HE1  TYR  35           HE1      TYR  35   9.636  -3.953   4.051
  211    HE2  TYR  35           HE2      TYR  35   7.356  -5.227   0.678
  212    HH   TYR  35           HH       TYR  35   8.859  -6.594   2.064
  213    H    TYR  36           H        TYR  36   8.686   1.628   3.340
  214    HA   TYR  36           HA       TYR  36   7.707   4.174   2.395
  215    HB2  TYR  36           2HB      TYR  36   9.485   3.236   4.523
  216    HB3  TYR  36           3HB      TYR  36  10.035   4.727   3.767
  217    HD1  TYR  36           HD1      TYR  36   8.275   6.636   3.562
  218    HD2  TYR  36           HD2      TYR  36   7.866   3.317   6.196
  219    HE1  TYR  36           HE1      TYR  36   6.682   7.919   4.922
  220    HE2  TYR  36           HE2      TYR  36   6.266   4.592   7.559
  221    HH   TYR  36           HH       TYR  36   4.851   7.488   6.512
  222    H    LEU  37           H        LEU  37   8.462   5.384   0.807
  223    HA   LEU  37           HA       LEU  37  10.589   4.395  -0.868
  224    HB2  LEU  37           2HB      LEU  37   8.767   6.786  -1.116
  225    HB3  LEU  37           3HB      LEU  37   9.987   6.375  -2.303
  226    HG   LEU  37           HG       LEU  37   7.932   4.324  -1.588
  227   HD11  LEU  37          1HD1      LEU  37   6.620   6.332  -1.950
  228   HD12  LEU  37          2HD1      LEU  37   6.438   5.227  -3.313
  229   HD13  LEU  37          3HD1      LEU  37   7.478   6.644  -3.459
  230   HD21  LEU  37          3HD2      LEU  37   9.781   3.718  -3.066
  231   HD22  LEU  37          1HD2      LEU  37   9.359   5.044  -4.150
  232   HD23  LEU  37          2HD2      LEU  37   8.245   3.694  -3.933
  Start of MODEL   19
    1    H1   PCA   1           H1       PCA   1 -11.043   6.348   3.445
    2    HA   PCA   1           HA       PCA   1 -10.366   3.872   4.164
    3    HB2  PCA   1           3HB      PCA   1 -12.398   2.801   3.465
    4    HB3  PCA   1           2HB      PCA   1 -11.582   2.722   1.855
    5    HG2  PCA   1           3HG      PCA   1 -13.935   3.599   3.456
    6    HG3  PCA   1           2HG      PCA   1 -13.627   4.121   1.780
    7    H    GLY   2           H        GLY   2  -8.465   3.288   3.208
    8    HA2  GLY   2           2HA      GLY   2  -7.332   2.900   0.997
    9    HA3  GLY   2           3HA      GLY   2  -7.763   4.562   0.635
   10    H    CYS   3           H        CYS   3  -6.506   3.197   3.661
   11    HA   CYS   3           HA       CYS   3  -3.942   4.546   3.245
   12    HB2  CYS   3           2HB      CYS   3  -5.768   5.913   4.626
   13    HB3  CYS   3           3HB      CYS   3  -5.210   4.874   5.932
   14    H    ALA   4           H        ALA   4  -2.501   2.979   3.457
   15    HA   ALA   4           HA       ALA   4  -2.858   0.987   5.601
   16    HB1  ALA   4           3HB      ALA   4  -1.064   0.448   3.285
   17    HB2  ALA   4           1HB      ALA   4  -2.809   0.321   3.059
   18    HB3  ALA   4           2HB      ALA   4  -2.002  -0.672   4.271
   19    H    PHE   5           H        PHE   5  -1.033   0.360   6.809
   20    HA   PHE   5           HA       PHE   5   1.034   2.420   7.008
   21    HB2  PHE   5           2HB      PHE   5  -0.405   1.402   8.966
   22    HB3  PHE   5           3HB      PHE   5   0.786   0.109   8.909
   23    HD1  PHE   5           HD1      PHE   5   0.288   3.703   9.544
   24    HD2  PHE   5           HD2      PHE   5   2.986   0.417   9.756
   25    HE1  PHE   5           HE1      PHE   5   1.797   5.036  10.959
   26    HE2  PHE   5           HE2      PHE   5   4.498   1.745  11.170
   27    HZ   PHE   5           HZ       PHE   5   3.905   4.057  11.774
   28    H    GLU   6           H        GLU   6   3.305   1.591   7.601
   29    HA   GLU   6           HA       GLU   6   4.341   0.063   5.470
   30    HB2  GLU   6           2HB      GLU   6   5.539   1.813   6.892
   31    HB3  GLU   6           3HB      GLU   6   5.779   0.542   8.078
   32    HG2  GLU   6           2HG      GLU   6   6.937  -0.773   6.276
   33    HG3  GLU   6           3HG      GLU   6   6.856   0.672   5.271
   34    H    GLY   7           H        GLY   7   4.917  -2.008   5.250
   35    HA2  GLY   7           2HA      GLY   7   5.321  -4.239   5.811
   36    HA3  GLY   7           3HA      GLY   7   4.961  -3.858   7.487
   37    H    GLU   8           H        GLU   8   2.446  -2.569   5.905
   38    HA   GLU   8           HA       GLU   8   0.741  -4.889   6.397
   39    HB2  GLU   8           2HB      GLU   8   0.350  -2.438   7.239
   40    HB3  GLU   8           3HB      GLU   8  -0.272  -2.170   5.618
   41    HG2  GLU   8           2HG      GLU   8  -1.946  -3.894   5.949
   42    HG3  GLU   8           3HG      GLU   8  -1.297  -4.241   7.551
   43    H    SER   9           H        SER   9  -0.943  -5.463   4.866
   44    HA   SER   9           HA       SER   9   0.006  -5.276   2.107
   45    HB2  SER   9           2HB      SER   9  -0.428  -7.521   3.139
   46    HB3  SER   9           3HB      SER   9  -2.136  -7.096   3.233
   47    HG   SER   9           HG       SER   9  -2.219  -7.010   1.007
   48    H    CYS  10           H        CYS  10  -0.848  -3.796   0.836
   49    HA   CYS  10           HA       CYS  10  -3.680  -3.061   1.192
   50    HB2  CYS  10           2HB      CYS  10  -3.231  -0.822   0.820
   51    HB3  CYS  10           3HB      CYS  10  -1.784  -1.315   1.688
   52    H    ASN  11           H        ASN  11  -4.863  -2.536  -0.713
   53    HA   ASN  11           HA       ASN  11  -3.927  -3.975  -3.086
   54    HB2  ASN  11           2HB      ASN  11  -6.724  -3.006  -2.497
   55    HB3  ASN  11           3HB      ASN  11  -6.236  -4.114  -3.770
   56   HD21  ASN  11          1HD2      ASN  11  -6.463  -3.722  -0.289
   57   HD22  ASN  11          2HD2      ASN  11  -6.627  -5.403   0.079
   58    H    VAL  12           H        VAL  12  -3.717  -2.983  -5.049
   59    HA   VAL  12           HA       VAL  12  -3.750  -0.066  -4.971
   60    HB   VAL  12           HB       VAL  12  -2.467  -0.110  -7.059
   61   HG11  VAL  12          1HG1      VAL  12  -1.236  -0.161  -4.982
   62   HG12  VAL  12          2HG1      VAL  12  -0.408  -1.155  -6.184
   63   HG13  VAL  12          3HG1      VAL  12  -1.364  -1.919  -4.914
   64   HG21  VAL  12          3HG2      VAL  12  -1.793  -2.073  -8.183
   65   HG22  VAL  12          1HG2      VAL  12  -3.525  -2.264  -7.897
   66   HG23  VAL  12          2HG2      VAL  12  -2.362  -3.111  -6.875
   67    H    GLU  13           H        GLU  13  -6.174  -1.838  -5.242
   68    HA   GLU  13           HA       GLU  13  -7.211  -0.845  -7.813
   69    HB2  GLU  13           2HB      GLU  13  -8.102  -3.202  -6.145
   70    HB3  GLU  13           3HB      GLU  13  -8.859  -2.689  -7.642
   71    HG2  GLU  13           2HG      GLU  13  -5.958  -3.446  -7.560
   72    HG3  GLU  13           3HG      GLU  13  -7.222  -4.672  -7.672
   73    H    PHE  14           H        PHE  14  -7.732  -0.976  -4.348
   74    HA   PHE  14           HA       PHE  14  -9.816   1.049  -4.551
   75    HB2  PHE  14           2HB      PHE  14 -11.227  -0.343  -2.858
   76    HB3  PHE  14           3HB      PHE  14 -11.292  -0.761  -4.564
   77    HD1  PHE  14           HD2      PHE  14 -10.231  -2.776  -5.405
   78    HD2  PHE  14           HD1      PHE  14 -10.204  -1.823  -1.263
   79    HE1  PHE  14           HE2      PHE  14  -9.501  -5.066  -4.889
   80    HE2  PHE  14           HE1      PHE  14  -9.466  -4.109  -0.737
   81    HZ   PHE  14           HZ       PHE  14  -9.103  -5.720  -2.556
   82    H    TYR  15           H        TYR  15  -7.919  -1.003  -2.336
   83    HA   TYR  15           HA       TYR  15  -7.834   1.247  -0.432
   84    HB2  TYR  15           2HB      TYR  15  -8.955  -0.968   0.275
   85    HB3  TYR  15           3HB      TYR  15  -7.326  -1.622   0.325
   86    HD1  TYR  15           HD1      TYR  15  -5.662  -0.648   1.966
   87    HD2  TYR  15           HD2      TYR  15  -9.795   0.383   2.030
   88    HE1  TYR  15           HE1      TYR  15  -5.410   0.198   4.257
   89    HE2  TYR  15           HE2      TYR  15  -9.548   1.237   4.322
   90    HH   TYR  15           HH       TYR  15  -8.054   0.932   6.250
   91    HA   PRO  16           HA       PRO  16  -3.447   0.597  -1.977
   92    HB2  PRO  16           2HB      PRO  16  -2.890   3.216  -2.464
   93    HB3  PRO  16           3HB      PRO  16  -3.718   2.187  -3.648
   94    HG2  PRO  16           2HG      PRO  16  -4.876   4.179  -1.752
   95    HG3  PRO  16           3HG      PRO  16  -5.261   3.894  -3.462
   96    HD2  PRO  16           2HD      PRO  16  -6.786   2.926  -1.441
   97    HD3  PRO  16           3HD      PRO  16  -6.610   2.098  -2.997
   98    H    CYS  17           H        CYS  17  -1.439   2.166  -1.248
   99    HA   CYS  17           HA       CYS  17  -1.288   1.916   1.582
  100    HB2  CYS  17           2HB      CYS  17   0.567   3.190  -0.440
  101    HB3  CYS  17           3HB      CYS  17   0.945   3.056   1.269
  102    H    CYS  18           H        CYS  18  -0.082   4.029   2.694
  103    HA   CYS  18           HA       CYS  18  -2.169   6.028   2.791
  104    HB2  CYS  18           2HB      CYS  18   0.226   5.395   4.475
  105    HB3  CYS  18           3HB      CYS  18  -0.553   6.967   4.622
  106    HA   PRO  19           HA       PRO  19   0.202   8.679   0.012
  107    HB2  PRO  19           2HB      PRO  19  -1.699  10.573  -0.359
  108    HB3  PRO  19           3HB      PRO  19  -1.777   8.983  -1.139
  109    HG2  PRO  19           2HG      PRO  19  -3.281  10.007   1.204
  110    HG3  PRO  19           3HG      PRO  19  -3.801   8.905  -0.085
  111    HD2  PRO  19           2HD      PRO  19  -3.019   8.122   2.456
  112    HD3  PRO  19           3HD      PRO  19  -3.061   7.070   1.028
  113    H    GLY  20           H        GLY  20   1.145  10.778   0.034
  114    HA2  GLY  20           2HA      GLY  20   1.668  12.877   0.972
  115    HA3  GLY  20           3HA      GLY  20   0.749  12.445   2.405
  116    H    LEU  21           H        LEU  21   2.074   9.852   2.712
  117    HA   LEU  21           HA       LEU  21   4.414  10.760   4.146
  118    HB2  LEU  21           2HB      LEU  21   3.386   7.937   3.897
  119    HB3  LEU  21           3HB      LEU  21   4.464   8.561   5.120
  120    HG   LEU  21           HG       LEU  21   1.600   9.477   4.846
  121   HD11  LEU  21          1HD1      LEU  21   1.678   7.055   5.224
  122   HD12  LEU  21          2HD1      LEU  21   1.030   7.926   6.614
  123   HD13  LEU  21          3HD1      LEU  21   2.685   7.318   6.648
  124   HD21  LEU  21          3HD2      LEU  21   1.898  10.179   7.181
  125   HD22  LEU  21          1HD2      LEU  21   3.049  10.979   6.110
  126   HD23  LEU  21          2HD2      LEU  21   3.577   9.638   7.127
  127    H    GLY  22           H        GLY  22   3.833   8.100   1.812
  128    HA2  GLY  22           2HA      GLY  22   5.358   8.296  -0.225
  129    HA3  GLY  22           3HA      GLY  22   6.647   8.343   0.963
  130    H    LEU  23           H        LEU  23   3.762   6.294   1.140
  131    HA   LEU  23           HA       LEU  23   5.480   3.942   1.289
  132    HB2  LEU  23           2HB      LEU  23   2.565   4.450   1.849
  133    HB3  LEU  23           3HB      LEU  23   3.152   2.816   1.657
  134    HG   LEU  23           HG       LEU  23   2.913   3.411   4.009
  135   HD11  LEU  23          1HD1      LEU  23   5.854   3.216   3.460
  136   HD12  LEU  23          2HD1      LEU  23   4.746   1.868   3.211
  137   HD13  LEU  23          3HD1      LEU  23   4.937   2.566   4.819
  138   HD21  LEU  23          3HD2      LEU  23   4.824   5.627   3.352
  139   HD22  LEU  23          1HD2      LEU  23   4.572   5.039   4.997
  140   HD23  LEU  23          2HD2      LEU  23   3.226   5.729   4.092
  141    H    THR  24           H        THR  24   5.078   2.031   0.075
  142    HA   THR  24           HA       THR  24   3.532   2.274  -2.390
  143    HB   THR  24           HB       THR  24   5.738   3.005  -3.103
  144    HG1  THR  24           HG1      THR  24   4.547   0.762  -4.031
  145   HG21  THR  24          3HG2      THR  24   6.761   0.447  -1.861
  146   HG22  THR  24          1HG2      THR  24   7.204   2.100  -1.434
  147   HG23  THR  24          2HG2      THR  24   7.696   1.431  -2.990
  148    H    CYS  25           H        CYS  25   2.434   0.447  -2.827
  149    HA   CYS  25           HA       CYS  25   2.832  -1.864  -1.120
  150    HB2  CYS  25           2HB      CYS  25   0.646  -0.727  -2.600
  151    HB3  CYS  25           3HB      CYS  25   0.840  -2.419  -3.037
  152    H    ILE  26           H        ILE  26   3.974  -3.592  -1.632
  153    HA   ILE  26           HA       ILE  26   4.565  -4.126  -4.467
  154    HB   ILE  26           HB       ILE  26   6.455  -4.608  -2.155
  155   HG12  ILE  26          2HG1      ILE  26   6.194  -2.195  -2.532
  156   HG13  ILE  26          3HG1      ILE  26   7.799  -2.729  -2.993
  157   HG21  ILE  26          1HG2      ILE  26   6.676  -6.145  -4.114
  158   HG22  ILE  26          2HG2      ILE  26   8.121  -5.203  -3.742
  159   HG23  ILE  26          3HG2      ILE  26   7.090  -4.738  -5.096
  160   HD11  ILE  26          3HD1      ILE  26   5.523  -2.052  -4.858
  161   HD12  ILE  26          1HD1      ILE  26   7.097  -2.665  -5.368
  162   HD13  ILE  26          2HD1      ILE  26   6.979  -1.096  -4.571
  163    HA   PRO  27           HA       PRO  27   4.615  -5.528  -5.980
  164    HB2  PRO  27           2HB      PRO  27   2.787  -6.972  -7.346
  165    HB3  PRO  27           3HB      PRO  27   4.368  -7.623  -6.880
  166    HG2  PRO  27           2HG      PRO  27   1.713  -8.049  -5.600
  167    HG3  PRO  27           3HG      PRO  27   3.009  -9.218  -5.920
  168    HD2  PRO  27           2HD      PRO  27   2.599  -8.090  -3.479
  169    HD3  PRO  27           3HD      PRO  27   4.193  -8.618  -4.051
  170    H    GLY  28           H        GLY  28   1.476  -5.970  -4.435
  171    HA2  GLY  28           2HA      GLY  28  -0.025  -4.167  -4.053
  172    HA3  GLY  28           3HA      GLY  28   0.623  -3.357  -5.470
  173    H    ASN  29           H        ASN  29   0.381  -5.976  -7.005
  174    HA   ASN  29           HA       ASN  29  -2.530  -5.817  -7.468
  175    HB2  ASN  29           2HB      ASN  29  -0.269  -6.346  -9.407
  176    HB3  ASN  29           3HB      ASN  29  -1.962  -6.608  -9.811
  177   HD21  ASN  29          1HD2      ASN  29  -3.329  -4.840 -10.043
  178   HD22  ASN  29          2HD2      ASN  29  -2.725  -3.235 -10.252
  179    HA   PRO  30           HA       PRO  30  -4.397  -6.849  -7.256
  180    HB2  PRO  30           2HB      PRO  30  -5.688  -8.179  -5.257
  181    HB3  PRO  30           3HB      PRO  30  -5.750  -8.689  -6.955
  182    HG2  PRO  30           2HG      PRO  30  -4.088  -9.760  -4.727
  183    HG3  PRO  30           3HG      PRO  30  -4.956 -10.630  -6.007
  184    HD2  PRO  30           2HD      PRO  30  -2.291 -10.188  -6.105
  185    HD3  PRO  30           3HD      PRO  30  -3.302 -10.273  -7.560
  186    H    ASP  31           H        ASP  31  -2.298  -7.875  -4.647
  187    HA   ASP  31           HA       ASP  31  -2.398  -5.245  -3.447
  188    HB2  ASP  31           2HB      ASP  31  -2.785  -6.171  -1.129
  189    HB3  ASP  31           3HB      ASP  31  -4.198  -6.180  -2.175
  190    H    GLY  32           H        GLY  32  -0.649  -4.800  -2.059
  191    HA2  GLY  32           2HA      GLY  32   1.443  -6.858  -1.870
  192    HA3  GLY  32           3HA      GLY  32   1.828  -5.318  -2.625
  193    H    THR  33           H        THR  33   3.481  -5.395  -0.847
  194    HA   THR  33           HA       THR  33   2.419  -4.615   1.763
  195    HB   THR  33           HB       THR  33   5.039  -4.666   2.236
  196    HG1  THR  33           HG1      THR  33   5.602  -6.744   0.920
  197   HG21  THR  33          3HG2      THR  33   3.367  -5.998   3.402
  198   HG22  THR  33          1HG2      THR  33   4.770  -6.985   2.993
  199   HG23  THR  33          2HG2      THR  33   3.292  -7.117   2.041
  200    H    CYS  34           H        CYS  34   2.609  -2.665   2.608
  201    HA   CYS  34           HA       CYS  34   3.424  -0.489   0.902
  202    HB2  CYS  34           2HB      CYS  34   2.226  -0.613   3.670
  203    HB3  CYS  34           3HB      CYS  34   2.679   0.904   2.901
  204    H    TYR  35           H        TYR  35   5.477  -0.089   0.678
  205    HA   TYR  35           HA       TYR  35   7.248  -0.085   3.031
  206    HB2  TYR  35           2HB      TYR  35   7.783  -0.648   0.122
  207    HB3  TYR  35           3HB      TYR  35   9.084  -0.186   1.213
  208    HD1  TYR  35           HD1      TYR  35   9.393  -1.619   3.333
  209    HD2  TYR  35           HD2      TYR  35   7.134  -2.891  -0.046
  210    HE1  TYR  35           HE1      TYR  35   9.619  -3.945   4.068
  211    HE2  TYR  35           HE2      TYR  35   7.350  -5.224   0.688
  212    HH   TYR  35           HH       TYR  35   8.850  -6.589   2.080
  213    H    TYR  36           H        TYR  36   8.667   1.634   3.349
  214    HA   TYR  36           HA       TYR  36   7.692   4.179   2.397
  215    HB2  TYR  36           2HB      TYR  36   9.446   3.244   4.540
  216    HB3  TYR  36           3HB      TYR  36  10.023   4.722   3.779
  217    HD1  TYR  36           HD1      TYR  36   8.288   6.652   3.544
  218    HD2  TYR  36           HD2      TYR  36   7.813   3.358   6.197
  219    HE1  TYR  36           HE1      TYR  36   6.702   7.965   4.881
  220    HE2  TYR  36           HE2      TYR  36   6.220   4.663   7.539
  221    HH   TYR  36           HH       TYR  36   5.675   7.021   7.973
  222    H    LEU  37           H        LEU  37   8.453   5.389   0.811
  223    HA   LEU  37           HA       LEU  37  10.588   4.400  -0.853
  224    HB2  LEU  37           2HB      LEU  37   8.766   6.789  -1.112
  225    HB3  LEU  37           3HB      LEU  37   9.993   6.377  -2.293
  226    HG   LEU  37           HG       LEU  37   7.936   4.325  -1.586
  227   HD11  LEU  37          1HD1      LEU  37   7.489   6.641  -3.464
  228   HD12  LEU  37          2HD1      LEU  37   6.623   6.332  -1.958
  229   HD13  LEU  37          3HD1      LEU  37   6.450   5.224  -3.320
  230   HD21  LEU  37          3HD2      LEU  37   8.262   3.692  -3.928
  231   HD22  LEU  37          1HD2      LEU  37   9.793   3.718  -3.053
  232   HD23  LEU  37          2HD2      LEU  37   9.375   5.042  -4.141
  Start of MODEL   20
    1    H1   PCA   1           H1       PCA   1  -9.949   7.368   3.242
    2    HA   PCA   1           HA       PCA   1 -10.432   4.808   3.801
    3    HB2  PCA   1           3HB      PCA   1 -12.607   4.698   2.792
    4    HB3  PCA   1           2HB      PCA   1 -11.681   4.351   1.280
    5    HG2  PCA   1           3HG      PCA   1 -13.676   6.057   2.689
    6    HG3  PCA   1           2HG      PCA   1 -12.957   6.471   1.111
    7    H    GLY   2           H        GLY   2  -8.830   3.521   2.997
    8    HA2  GLY   2           2HA      GLY   2  -7.422   2.656   1.288
    9    HA3  GLY   2           3HA      GLY   2  -7.583   4.175   0.420
   10    H    CYS   3           H        CYS   3  -6.548   3.215   3.691
   11    HA   CYS   3           HA       CYS   3  -3.959   4.516   3.223
   12    HB2  CYS   3           2HB      CYS   3  -5.790   5.890   4.586
   13    HB3  CYS   3           3HB      CYS   3  -5.233   4.866   5.904
   14    H    ALA   4           H        ALA   4  -2.503   2.973   3.462
   15    HA   ALA   4           HA       ALA   4  -2.847   1.004   5.629
   16    HB1  ALA   4           3HB      ALA   4  -1.124   0.422   3.266
   17    HB2  ALA   4           1HB      ALA   4  -2.876   0.278   3.117
   18    HB3  ALA   4           2HB      ALA   4  -2.009  -0.685   4.314
   19    H    PHE   5           H        PHE   5  -1.029   0.426   6.848
   20    HA   PHE   5           HA       PHE   5   1.060   2.463   6.954
   21    HB2  PHE   5           2HB      PHE   5   0.244   0.258   8.855
   22    HB3  PHE   5           3HB      PHE   5   1.658   1.271   9.119
   23    HD1  PHE   5           HD2      PHE   5  -1.993   1.143   9.096
   24    HD2  PHE   5           HD1      PHE   5   1.423   3.601   9.733
   25    HE1  PHE   5           HE2      PHE   5  -3.412   2.824  10.198
   26    HE2  PHE   5           HE1      PHE   5   0.010   5.285  10.837
   27    HZ   PHE   5           HZ       PHE   5  -2.411   4.899  11.069
   28    H    GLU   6           H        GLU   6   3.328   1.583   7.622
   29    HA   GLU   6           HA       GLU   6   4.359   0.061   5.472
   30    HB2  GLU   6           2HB      GLU   6   5.565   1.804   6.907
   31    HB3  GLU   6           3HB      GLU   6   5.803   0.521   8.079
   32    HG2  GLU   6           2HG      GLU   6   6.944  -0.784   6.256
   33    HG3  GLU   6           3HG      GLU   6   6.872   0.677   5.272
   34    H    GLY   7           H        GLY   7   4.934  -2.014   5.261
   35    HA2  GLY   7           2HA      GLY   7   5.319  -4.245   5.827
   36    HA3  GLY   7           3HA      GLY   7   4.954  -3.859   7.500
   37    H    GLU   8           H        GLU   8   2.451  -2.559   5.914
   38    HA   GLU   8           HA       GLU   8   0.734  -4.870   6.400
   39    HB2  GLU   8           2HB      GLU   8   0.353  -2.413   7.233
   40    HB3  GLU   8           3HB      GLU   8  -0.269  -2.152   5.610
   41    HG2  GLU   8           2HG      GLU   8  -1.944  -3.876   5.950
   42    HG3  GLU   8           3HG      GLU   8  -1.298  -4.207   7.558
   43    H    SER   9           H        SER   9  -0.935  -5.457   4.866
   44    HA   SER   9           HA       SER   9   0.018  -5.266   2.108
   45    HB2  SER   9           2HB      SER   9  -0.408  -7.513   3.139
   46    HB3  SER   9           3HB      SER   9  -2.118  -7.094   3.232
   47    HG   SER   9           HG       SER   9  -2.274  -7.176   1.070
   48    H    CYS  10           H        CYS  10  -0.841  -3.783   0.841
   49    HA   CYS  10           HA       CYS  10  -3.676  -3.061   1.198
   50    HB2  CYS  10           2HB      CYS  10  -3.234  -0.820   0.816
   51    HB3  CYS  10           3HB      CYS  10  -1.792  -1.307   1.694
   52    H    ASN  11           H        ASN  11  -4.862  -2.532  -0.708
   53    HA   ASN  11           HA       ASN  11  -3.927  -3.974  -3.080
   54    HB2  ASN  11           2HB      ASN  11  -6.724  -3.009  -2.487
   55    HB3  ASN  11           3HB      ASN  11  -6.238  -4.114  -3.763
   56   HD21  ASN  11          1HD2      ASN  11  -6.459  -3.730  -0.280
   57   HD22  ASN  11          2HD2      ASN  11  -6.620  -5.412   0.085
   58    H    VAL  12           H        VAL  12  -3.719  -2.984  -5.042
   59    HA   VAL  12           HA       VAL  12  -3.752  -0.068  -4.969
   60    HB   VAL  12           HB       VAL  12  -2.476  -0.115  -7.061
   61   HG11  VAL  12          1HG1      VAL  12  -1.234  -0.160  -4.995
   62   HG12  VAL  12          2HG1      VAL  12  -0.416  -1.170  -6.190
   63   HG13  VAL  12          3HG1      VAL  12  -1.373  -1.917  -4.910
   64   HG21  VAL  12          3HG2      VAL  12  -2.370  -3.116  -6.873
   65   HG22  VAL  12          1HG2      VAL  12  -1.807  -2.080  -8.185
   66   HG23  VAL  12          2HG2      VAL  12  -3.538  -2.272  -7.890
   67    H    GLU  13           H        GLU  13  -6.179  -1.837  -5.231
   68    HA   GLU  13           HA       GLU  13  -7.221  -0.854  -7.803
   69    HB2  GLU  13           2HB      GLU  13  -8.110  -3.199  -6.118
   70    HB3  GLU  13           3HB      GLU  13  -8.874  -2.693  -7.616
   71    HG2  GLU  13           2HG      GLU  13  -5.974  -3.457  -7.541
   72    HG3  GLU  13           3HG      GLU  13  -7.242  -4.679  -7.643
   73    H    PHE  14           H        PHE  14  -7.735  -0.968  -4.335
   74    HA   PHE  14           HA       PHE  14  -9.814   1.060  -4.542
   75    HB2  PHE  14           2HB      PHE  14 -11.223  -0.320  -2.839
   76    HB3  PHE  14           3HB      PHE  14 -11.293  -0.746  -4.544
   77    HD1  PHE  14           HD2      PHE  14 -10.236  -2.767  -5.375
   78    HD2  PHE  14           HD1      PHE  14 -10.201  -1.794  -1.239
   79    HE1  PHE  14           HE2      PHE  14  -9.509  -5.055  -4.849
   80    HE2  PHE  14           HE1      PHE  14  -9.465  -4.077  -0.701
   81    HZ   PHE  14           HZ       PHE  14  -9.108  -5.697  -2.514
   82    H    TYR  15           H        TYR  15  -7.918  -0.987  -2.321
   83    HA   TYR  15           HA       TYR  15  -7.817   1.275  -0.432
   84    HB2  TYR  15           2HB      TYR  15  -8.952  -0.929   0.291
   85    HB3  TYR  15           3HB      TYR  15  -7.327  -1.590   0.349
   86    HD1  TYR  15           HD1      TYR  15  -5.673  -0.654   2.005
   87    HD2  TYR  15           HD2      TYR  15  -9.778   0.489   2.012
   88    HE1  TYR  15           HE1      TYR  15  -5.422   0.216   4.287
   89    HE2  TYR  15           HE2      TYR  15  -9.531   1.365   4.295
   90    HH   TYR  15           HH       TYR  15  -6.513   1.846   5.767
   91    HA   PRO  16           HA       PRO  16  -3.435   0.582  -1.973
   92    HB2  PRO  16           2HB      PRO  16  -2.859   3.194  -2.475
   93    HB3  PRO  16           3HB      PRO  16  -3.694   2.163  -3.653
   94    HG2  PRO  16           2HG      PRO  16  -4.838   4.177  -1.772
   95    HG3  PRO  16           3HG      PRO  16  -5.225   3.882  -3.479
   96    HD2  PRO  16           2HD      PRO  16  -6.757   2.940  -1.451
   97    HD3  PRO  16           3HD      PRO  16  -6.589   2.100  -3.003
   98    H    CYS  17           H        CYS  17  -1.419   2.157  -1.251
   99    HA   CYS  17           HA       CYS  17  -1.268   1.911   1.577
  100    HB2  CYS  17           2HB      CYS  17   0.583   3.185  -0.446
  101    HB3  CYS  17           3HB      CYS  17   0.961   3.057   1.264
  102    H    CYS  18           H        CYS  18  -0.085   4.018   2.705
  103    HA   CYS  18           HA       CYS  18  -2.174   6.012   2.792
  104    HB2  CYS  18           2HB      CYS  18   0.208   5.376   4.489
  105    HB3  CYS  18           3HB      CYS  18  -0.561   6.955   4.629
  106    HA   PRO  19           HA       PRO  19   0.193   8.680   0.027
  107    HB2  PRO  19           2HB      PRO  19  -1.713  10.573  -0.334
  108    HB3  PRO  19           3HB      PRO  19  -1.786   8.987  -1.123
  109    HG2  PRO  19           2HG      PRO  19  -3.295   9.994   1.223
  110    HG3  PRO  19           3HG      PRO  19  -3.811   8.898  -0.072
  111    HD2  PRO  19           2HD      PRO  19  -3.030   8.103   2.467
  112    HD3  PRO  19           3HD      PRO  19  -3.066   7.059   1.033
  113    H    GLY  20           H        GLY  20   1.121  10.789   0.053
  114    HA2  GLY  20           2HA      GLY  20   1.642  12.883   1.001
  115    HA3  GLY  20           3HA      GLY  20   0.726  12.439   2.433
  116    H    LEU  21           H        LEU  21   2.060   9.849   2.724
  117    HA   LEU  21           HA       LEU  21   4.401  10.758   4.157
  118    HB2  LEU  21           2HB      LEU  21   3.384   7.932   3.901
  119    HB3  LEU  21           3HB      LEU  21   4.457   8.560   5.128
  120    HG   LEU  21           HG       LEU  21   1.591   9.467   4.856
  121   HD11  LEU  21          1HD1      LEU  21   1.673   7.042   5.218
  122   HD12  LEU  21          2HD1      LEU  21   1.020   7.902   6.611
  123   HD13  LEU  21          3HD1      LEU  21   2.677   7.298   6.644
  124   HD21  LEU  21          3HD2      LEU  21   1.885  10.155   7.194
  125   HD22  LEU  21          1HD2      LEU  21   3.038  10.962   6.132
  126   HD23  LEU  21          2HD2      LEU  21   3.563   9.615   7.141
  127    H    GLY  22           H        GLY  22   3.831   8.085   1.834
  128    HA2  GLY  22           2HA      GLY  22   5.345   8.296  -0.213
  129    HA3  GLY  22           3HA      GLY  22   6.638   8.345   0.973
  130    H    LEU  23           H        LEU  23   3.759   6.287   1.152
  131    HA   LEU  23           HA       LEU  23   5.484   3.941   1.293
  132    HB2  LEU  23           2HB      LEU  23   2.571   4.440   1.868
  133    HB3  LEU  23           3HB      LEU  23   3.164   2.808   1.676
  134    HG   LEU  23           HG       LEU  23   2.933   3.414   4.030
  135   HD11  LEU  23          1HD1      LEU  23   4.962   2.565   4.831
  136   HD12  LEU  23          2HD1      LEU  23   5.867   3.199   3.460
  137   HD13  LEU  23          3HD1      LEU  23   4.749   1.856   3.232
  138   HD21  LEU  23          3HD2      LEU  23   4.617   5.034   5.000
  139   HD22  LEU  23          1HD2      LEU  23   3.257   5.727   4.117
  140   HD23  LEU  23          2HD2      LEU  23   4.843   5.622   3.353
  141    H    THR  24           H        THR  24   5.062   2.022   0.085
  142    HA   THR  24           HA       THR  24   3.515   2.273  -2.377
  143    HB   THR  24           HB       THR  24   5.718   3.009  -3.095
  144    HG1  THR  24           HG1      THR  24   6.105   1.349  -4.678
  145   HG21  THR  24          3HG2      THR  24   7.679   1.447  -2.997
  146   HG22  THR  24          1HG2      THR  24   6.751   0.435  -1.888
  147   HG23  THR  24          2HG2      THR  24   7.183   2.082  -1.428
  148    H    CYS  25           H        CYS  25   2.427   0.442  -2.827
  149    HA   CYS  25           HA       CYS  25   2.827  -1.870  -1.122
  150    HB2  CYS  25           2HB      CYS  25   0.638  -0.734  -2.602
  151    HB3  CYS  25           3HB      CYS  25   0.833  -2.427  -3.035
  152    H    ILE  26           H        ILE  26   3.970  -3.596  -1.639
  153    HA   ILE  26           HA       ILE  26   4.557  -4.125  -4.476
  154    HB   ILE  26           HB       ILE  26   6.454  -4.605  -2.167
  155   HG12  ILE  26          2HG1      ILE  26   6.187  -2.192  -2.545
  156   HG13  ILE  26          3HG1      ILE  26   7.792  -2.724  -3.006
  157   HG21  ILE  26          1HG2      ILE  26   6.670  -6.140  -4.132
  158   HG22  ILE  26          2HG2      ILE  26   8.116  -5.202  -3.754
  159   HG23  ILE  26          3HG2      ILE  26   7.089  -4.729  -5.108
  160   HD11  ILE  26          3HD1      ILE  26   5.516  -2.051  -4.870
  161   HD12  ILE  26          1HD1      ILE  26   7.089  -2.662  -5.379
  162   HD13  ILE  26          2HD1      ILE  26   6.969  -1.093  -4.584
  163    HA   PRO  27           HA       PRO  27   4.609  -5.525  -5.991
  164    HB2  PRO  27           2HB      PRO  27   2.778  -6.971  -7.354
  165    HB3  PRO  27           3HB      PRO  27   4.362  -7.620  -6.893
  166    HG2  PRO  27           2HG      PRO  27   1.709  -8.050  -5.609
  167    HG3  PRO  27           3HG      PRO  27   3.007  -9.218  -5.931
  168    HD2  PRO  27           2HD      PRO  27   2.600  -8.092  -3.489
  169    HD3  PRO  27           3HD      PRO  27   4.194  -8.617  -4.064
  170    H    GLY  28           H        GLY  28   1.472  -5.973  -4.443
  171    HA2  GLY  28           2HA      GLY  28  -0.029  -4.171  -4.055
  172    HA3  GLY  28           3HA      GLY  28   0.615  -3.360  -5.474
  173    H    ASN  29           H        ASN  29   0.371  -5.981  -7.007
  174    HA   ASN  29           HA       ASN  29  -2.541  -5.821  -7.465
  175    HB2  ASN  29           2HB      ASN  29  -0.284  -6.353  -9.407
  176    HB3  ASN  29           3HB      ASN  29  -1.978  -6.613  -9.809
  177   HD21  ASN  29          1HD2      ASN  29  -3.344  -4.843 -10.037
  178   HD22  ASN  29          2HD2      ASN  29  -2.738  -3.239 -10.249
  179    HA   PRO  30           HA       PRO  30  -4.408  -6.851  -7.248
  180    HB2  PRO  30           2HB      PRO  30  -5.696  -8.180  -5.247
  181    HB3  PRO  30           3HB      PRO  30  -5.761  -8.691  -6.944
  182    HG2  PRO  30           2HG      PRO  30  -4.096  -9.761  -4.718
  183    HG3  PRO  30           3HG      PRO  30  -4.966 -10.632  -5.997
  184    HD2  PRO  30           2HD      PRO  30  -2.300 -10.190  -6.099
  185    HD3  PRO  30           3HD      PRO  30  -3.313 -10.277  -7.553
  186    H    ASP  31           H        ASP  31  -2.303  -7.877  -4.642
  187    HA   ASP  31           HA       ASP  31  -2.401  -5.247  -3.443
  188    HB2  ASP  31           2HB      ASP  31  -2.782  -6.173  -1.124
  189    HB3  ASP  31           3HB      ASP  31  -4.197  -6.183  -2.166
  190    H    GLY  32           H        GLY  32  -0.650  -4.802  -2.058
  191    HA2  GLY  32           2HA      GLY  32   1.445  -6.857  -1.877
  192    HA3  GLY  32           3HA      GLY  32   1.826  -5.316  -2.630
  193    H    THR  33           H        THR  33   3.483  -5.400  -0.854
  194    HA   THR  33           HA       THR  33   2.426  -4.622   1.759
  195    HB   THR  33           HB       THR  33   5.046  -4.673   2.229
  196    HG1  THR  33           HG1      THR  33   5.199  -5.346  -0.164
  197   HG21  THR  33          3HG2      THR  33   3.303  -7.127   2.027
  198   HG22  THR  33          1HG2      THR  33   3.377  -6.012   3.392
  199   HG23  THR  33          2HG2      THR  33   4.782  -6.995   2.978
  200    H    CYS  34           H        CYS  34   2.623  -2.675   2.611
  201    HA   CYS  34           HA       CYS  34   3.432  -0.496   0.905
  202    HB2  CYS  34           2HB      CYS  34   2.230  -0.629   3.670
  203    HB3  CYS  34           3HB      CYS  34   2.688   0.893   2.911
  204    H    TYR  35           H        TYR  35   5.486  -0.091   0.681
  205    HA   TYR  35           HA       TYR  35   7.256  -0.092   3.035
  206    HB2  TYR  35           2HB      TYR  35   7.794  -0.650   0.125
  207    HB3  TYR  35           3HB      TYR  35   9.094  -0.191   1.220
  208    HD1  TYR  35           HD1      TYR  35   9.393  -1.630   3.340
  209    HD2  TYR  35           HD2      TYR  35   7.149  -2.891  -0.055
  210    HE1  TYR  35           HE1      TYR  35   9.616  -3.959   4.067
  211    HE2  TYR  35           HE2      TYR  35   7.363  -5.227   0.672
  212    HH   TYR  35           HH       TYR  35   8.452  -6.107   3.761
  213    H    TYR  36           H        TYR  36   8.682   1.627   3.350
  214    HA   TYR  36           HA       TYR  36   7.703   4.171   2.409
  215    HB2  TYR  36           2HB      TYR  36   9.494   3.239   4.526
  216    HB3  TYR  36           3HB      TYR  36  10.044   4.724   3.759
  217    HD1  TYR  36           HD2      TYR  36   8.275   6.633   3.547
  218    HD2  TYR  36           HD1      TYR  36   7.896   3.338   6.216
  219    HE1  TYR  36           HE2      TYR  36   6.690   7.925   4.909
  220    HE2  TYR  36           HE1      TYR  36   6.307   4.622   7.582
  221    HH   TYR  36           HH       TYR  36   4.870   7.496   6.521
  222    H    LEU  37           H        LEU  37   8.433   5.374   0.815
  223    HA   LEU  37           HA       LEU  37  10.603   4.390  -0.831
  224    HB2  LEU  37           2HB      LEU  37   8.200   5.501  -1.433
  225    HB3  LEU  37           3HB      LEU  37   9.247   6.899  -1.578
  226    HG   LEU  37           HG       LEU  37  10.685   5.266  -3.076
  227   HD11  LEU  37          1HD1      LEU  37   9.283   3.739  -4.367
  228   HD12  LEU  37          2HD1      LEU  37   7.906   4.119  -3.333
  229   HD13  LEU  37          3HD1      LEU  37   9.310   3.290  -2.661
  230   HD21  LEU  37          3HD2      LEU  37   9.471   6.101  -5.037
  231   HD22  LEU  37          1HD2      LEU  37   9.714   7.361  -3.827
  232   HD23  LEU  37          2HD2      LEU  37   8.136   6.591  -3.992